2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid

C14H27NO4S — CID 103342477

IUPAC2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H27NO4S/c1-10(2)8-15(9-11(3)4)20(18,19)13-7-5-6-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyQSCFEIGCEJXZLT-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.18
Rot. Bonds7

About 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342477) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342477
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H27NO4S/c1-10(2)8-15(9-11(3)4)20(18,19)13-7-5-6-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeyQSCFEIGCEJXZLT-UHFFFAOYSA-N
XLogP2.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-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

2-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103342547
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342603
2-[Propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342604
Methyl 2-[propyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342605
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342620
2-[Propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342621
Methyl 2-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342839
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342840
2-[Methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343140
Methyl 2-[methyl(3,3,3-trifluoropropyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343141
2-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylcyclopentane-1-carboxylic acid
CID 103343142
2-[2,2-Difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343457

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342477) is 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid is CC(C)CN(CC(C)C)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is QSCFEIGCEJXZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-10(2)8-15(9-11(3)4)20(18,19)13-7-5-6-12(13)14(16)17/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 305.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).