1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane

C14H30N2O3S — CID 65121349

IUPAC1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane
SMILESCCCCN(C)S(=O)(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H30N2O3S/c1-5-6-11-16(4)20(18,19)15-12-14(17)9-7-13(2,3)8-10-14/h15,17H,5-12H2,1-4H3
InChIKeyYWEJWOHIGNRYIG-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.88
Rot. Bonds7

About 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane (PubChem CID 65121349) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane
PubChem CID65121349
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane
SMILESCCCCN(C)S(=O)(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H30N2O3S/c1-5-6-11-16(4)20(18,19)15-12-14(17)9-7-13(2,3)8-10-14/h15,17H,5-12H2,1-4H3
InChIKeyYWEJWOHIGNRYIG-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane (CID 65121349) is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane is CCCCN(C)S(=O)(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane?
The InChIKey is YWEJWOHIGNRYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-5-6-11-16(4)20(18,19)15-12-14(17)9-7-13(2,3)8-10-14/h15,17H,5-12H2,1-4H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane?
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane has a molecular weight of 306.47 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4,4-dimethylcyclohexane is sourced from PubChem (CID 65121349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).