1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

C12H26N2O2S — CID 104746719

IUPAC1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)CC(N)C1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-14(8-9-17(2,15)16)10-12(13)11-6-4-3-5-7-11/h11-12H,3-10,13H2,1-2H3
InChIKeyPDXPFSOCWNHVNT-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.87
Rot. Bonds6

About 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine

1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 104746719) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID104746719
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)CC(N)C1CCCCC1
InChIInChI=1S/C12H26N2O2S/c1-14(8-9-17(2,15)16)10-12(13)11-6-4-3-5-7-11/h11-12H,3-10,13H2,1-2H3
InChIKeyPDXPFSOCWNHVNT-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 104746059
1-cyclohexyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 104754976
2-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79859494
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 63914300
N-(cyclohexylmethyl)-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79858955
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
1-cyclopentyl-2-propan-2-ylsulfonylethanamine
CID 104754148
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
4-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexan-1-amine
CID 79858261
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79850305

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 104746719) is 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is CN(CCS(C)(=O)=O)CC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is PDXPFSOCWNHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-14(8-9-17(2,15)16)10-12(13)11-6-4-3-5-7-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine?
1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 262.42 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 104746719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).