6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid

C12H22N2O5S — CID 43352987

IUPAC6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-9-5-6-10(14)12(17)13-8-4-2-3-7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyHAIXDNVKMPYARE-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.17
Rot. Bonds8

About 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid

6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid (PubChem CID 43352987) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
PubChem CID43352987
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-9-5-6-10(14)12(17)13-8-4-2-3-7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyHAIXDNVKMPYARE-UHFFFAOYSA-N
XLogP0.17
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic 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

4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
N-[3-(cyclohexylamino)-3-oxopropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55979331
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid (CID 43352987) is 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid is CS(=O)(=O)N1CCCC1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is HAIXDNVKMPYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-20(18,19)14-9-5-6-10(14)12(17)13-8-4-2-3-7-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid?
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 306.38 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).