N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine

C82H144N14O4S7 — CID 161062578

About N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine

N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 161062578) has the molecular formula C82H144N14O4S7 and a molecular weight of 1614.62 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine
• PubChem CID: 161062578
• Molecular Formula: C82H144N14O4S7
• Molecular Weight: 1614.62 g/mol
• Exact Mass: 1612.95
• IUPAC Name: N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine
• SMILES: CN(C)CCNCCSc1ccccc1.CSCCNCCN(C)C.CSCCNCCN1CCOCC1.c1ccc(SCCNCCCN2CCOCC2)cc1.c1ccc(SCCNCCN2CCCC2)cc1.c1ccc(SCCNCCN2CCOCC2)cc1.c1csc(CNCCN2CCOCC2)c1
• InChI: InChI=1S/C15H24N2OS.C14H22N2OS.C14H22N2S.C12H20N2S.C11H18N2OS.C9H20N2OS.C7H18N2S/c1-2-5-15(6-3-1)19-14-8-16-7-4-9-17-10-12-18-13-11-17;1-2-4-14(5-3-1)18-13-7-15-6-8-16-9-11-17-12-10-16;1-2-6-14(7-3-1)17-13-9-15-8-12-16-10-4-5-11-16;1-14(2)10-8-13-9-11-15-12-6-4-3-5-7-12;1-2-11(15-9-1)10-12-3-4-13-5-7-14-8-6-13;1-13-9-3-10-2-4-11-5-7-12-8-6-11;1-9(2)6-4-8-5-7-10-3/h1-3,5-6,16H,4,7-14H2;1-5,15H,6-13H2;1-3,6-7,15H,4-5,8-13H2;3-7,13H,8-11H2,1-2H3;1-2,9,12H,3-8,10H2;10H,2-9H2,1H3;8H,4-7H2,1-3H3
• InChIKey: UDOVTDILUSUYAF-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 143.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 46
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.62
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine?

The IUPAC name of N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine (CID 161062578) is N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine.

What is the SMILES notation for N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine?

The canonical SMILES for N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine is CN(C)CCNCCSc1ccccc1.CSCCNCCN(C)C.CSCCNCCN1CCOCC1.c1ccc(SCCNCCCN2CCOCC2)cc1.c1ccc(SCCNCCN2CCCC2)cc1.c1ccc(SCCNCCN2CCOCC2)cc1.c1csc(CNCCN2CCOCC2)c1.

What is the InChIKey of N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine?

The InChIKey is UDOVTDILUSUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.C14H22N2OS.C14H22N2S.C12H20N2S.C11H18N2OS.C9H20N2OS.C7H18N2S/c1-2-5-15(6-3-1)19-14-8-16-7-4-9-17-10-12-18-13-11-17;1-2-4-14(5-3-1)18-13-7-15-6-8-16-9-11-17-12-10-16;1-2-6-14(7-3-1)17-13-9-15-8-12-16-10-4-5-11-16;1-14(2)10-8-13-9-11-15-12-6-4-3-5-7-12;1-2-11(15-9-1)10-12-3-4-13-5-7-14-8-6-13;1-13-9-3-10-2-4-11-5-7-12-8-6-11;1-9(2)6-4-8-5-7-10-3/h1-3,5-6,16H,4,7-14H2;1-5,15H,6-13H2;1-3,6-7,15H,4-5,8-13H2;3-7,13H,8-11H2,1-2H3;1-2,9,12H,3-8,10H2;10H,2-9H2,1H3;8H,4-7H2,1-3H3.

What are the key properties of N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine?

N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 1614.62 g/mol, XLogP of 10.13, 46 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 161062578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).