(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C14H31N3O2S — CID 58821835

IUPAC(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C14H31N3O2S/c1-12(2)15-14(13-9-7-6-8-10-13)11-17(5)20(18,19)16(3)4/h12-15H,6-11H2,1-5H3/t14-/m1/s1
InChIKeyXIEQDVQPSQSFHL-CQSZACIVSA-N
MW305.49 g/mol
LogP1.67
Rot. Bonds7

About (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 58821835) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID58821835
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C14H31N3O2S/c1-12(2)15-14(13-9-7-6-8-10-13)11-17(5)20(18,19)16(3)4/h12-15H,6-11H2,1-5H3/t14-/m1/s1
InChIKeyXIEQDVQPSQSFHL-CQSZACIVSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 58821835) is (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)N[C@H](CN(C)S(=O)(=O)N(C)C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is XIEQDVQPSQSFHL-CQSZACIVSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(2)15-14(13-9-7-6-8-10-13)11-17(5)20(18,19)16(3)4/h12-15H,6-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 305.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 58821835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).