ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine

C16H36N4S2 — CID 177244206

IUPACethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCC.CC.CNCC1CSCCN1C.CNCc1ccsn1
InChIInChI=1S/C7H16N2S.C5H8N2S.2C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-6-4-5-2-3-8-7-5;2*1-2/h7-8H,3-6H2,1-2H3;2-3,6H,4H2,1H3;2*1-2H3
InChIKeyVCVGORKCOWBYOQ-UHFFFAOYSA-N
MW348.63 g/mol
LogP3.17
Rot. Bonds4

About ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine

ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine (PubChem CID 177244206) has the molecular formula C16H36N4S2 and a molecular weight of 348.63 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine
PubChem CID177244206
Molecular FormulaC16H36N4S2
Molecular Weight348.63 g/mol
Exact Mass348.24
IUPAC Nameethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine
SMILESCC.CC.CNCC1CSCCN1C.CNCc1ccsn1
InChIInChI=1S/C7H16N2S.C5H8N2S.2C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-6-4-5-2-3-8-7-5;2*1-2/h7-8H,3-6H2,1-2H3;2-3,6H,4H2,1H3;2*1-2H3
InChIKeyVCVGORKCOWBYOQ-UHFFFAOYSA-N
XLogP3.17
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine (CID 177244206) is ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine is CC.CC.CNCC1CSCCN1C.CNCc1ccsn1.
What is the InChIKey of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine?
The InChIKey is VCVGORKCOWBYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S.C5H8N2S.2C2H6/c1-8-5-7-6-10-4-3-9(7)2;1-6-4-5-2-3-8-7-5;2*1-2/h7-8H,3-6H2,1-2H3;2-3,6H,4H2,1H3;2*1-2H3.
What are the key properties of ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine?
ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine has a molecular weight of 348.63 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine;N-methyl-1-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 177244206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).