2-[(cyclopentylsulfonylamino)methyl]butanoic acid

C10H19NO4S — CID 105360867

IUPAC2-[(cyclopentylsulfonylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-8(10(12)13)7-11-16(14,15)9-5-3-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyXBBYZSZQDQJSFP-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds6

About 2-[(cyclopentylsulfonylamino)methyl]butanoic acid

2-[(cyclopentylsulfonylamino)methyl]butanoic acid (PubChem CID 105360867) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[(cyclopentylsulfonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(cyclopentylsulfonylamino)methyl]butanoic acid
PubChem CID105360867
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[(cyclopentylsulfonylamino)methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO4S/c1-2-8(10(12)13)7-11-16(14,15)9-5-3-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyXBBYZSZQDQJSFP-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(cyclopentylsulfonylamino)methyl]butanoic 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

N-(2-ethylbutyl)cyclopentanesulfonamide
CID 115613328
methyl 3-(cyclopentylsulfonylamino)-2-iodopropanoate
CID 103493575
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 2-chloro-3-(cyclohexylsulfonylamino)propanoate
CID 103493513
N-[2-(2-hydroxyethyl)pentyl]cyclopentanesulfonamide
CID 113318737
2-[[[1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660428
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
N-(4-chloro-2-methylbutyl)cyclopentanesulfonamide
CID 105361729
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
N-(3-chloro-2-methylpropyl)cyclopentanesulfonamide
CID 105361722
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylsulfonylamino)methyl]butanoic acid?
The IUPAC name of 2-[(cyclopentylsulfonylamino)methyl]butanoic acid (CID 105360867) is 2-[(cyclopentylsulfonylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(cyclopentylsulfonylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(cyclopentylsulfonylamino)methyl]butanoic acid is CCC(CNS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(cyclopentylsulfonylamino)methyl]butanoic acid?
The InChIKey is XBBYZSZQDQJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-8(10(12)13)7-11-16(14,15)9-5-3-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(cyclopentylsulfonylamino)methyl]butanoic acid?
2-[(cyclopentylsulfonylamino)methyl]butanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylsulfonylamino)methyl]butanoic acid is sourced from PubChem (CID 105360867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).