[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid

C11H22N2O4S — CID 121379155

IUPAC[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
SMILESCC(CS(C)(=O)=O)NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(7-18(2,16)17)12-9-3-5-10(6-4-9)13-11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyKJVIVPQOGLUDRC-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.59
Rot. Bonds5

About [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid

[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid (PubChem CID 121379155) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
PubChem CID121379155
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
SMILESCC(CS(C)(=O)=O)NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C11H22N2O4S/c1-8(7-18(2,16)17)12-9-3-5-10(6-4-9)13-11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15)
InChIKeyKJVIVPQOGLUDRC-UHFFFAOYSA-N
XLogP0.59
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
CID 103902239
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777
N-(1-ethylsulfonylpropan-2-yl)-4-methylcyclohexan-1-amine
CID 103914438
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
3-ethoxy-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 112553242
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
2-ethyl-N-(1-methylsulfonylpropan-2-yl)cyclopropan-1-amine
CID 103913957
2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid?
The IUPAC name of [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid (CID 121379155) is [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid is CC(CS(C)(=O)=O)NC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid?
The InChIKey is KJVIVPQOGLUDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8(7-18(2,16)17)12-9-3-5-10(6-4-9)13-11(14)15/h8-10,12-13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid?
[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid has a molecular weight of 278.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid is sourced from PubChem (CID 121379155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).