1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid

C12H24N2O4S — CID 61292019

IUPAC1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-4-14(5-2)19(17,18)13-12(11(15)16)8-6-7-10(3)9-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyUPZFIVXYZXMXHJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.20
Rot. Bonds6

About 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid

1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61292019) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid
PubChem CID61292019
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C12H24N2O4S/c1-4-14(5-2)19(17,18)13-12(11(15)16)8-6-7-10(3)9-12/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyUPZFIVXYZXMXHJ-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic 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

3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid
CID 61455545
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
3-methyl-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61291839
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid
CID 61291837
1-[[butyl(cyclopropyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61443998

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid (CID 61292019) is 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)NC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is UPZFIVXYZXMXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-14(5-2)19(17,18)13-12(11(15)16)8-6-7-10(3)9-12/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid?
1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61292019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).