5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid

C12H16N2O5S2 — CID 129468254

IUPAC5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C12H16N2O5S2/c1-21(18,19)14-5-4-8(7-14)6-13-11(15)9-2-3-10(20-9)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyVGMKBHVOIMWPHV-MRVPVSSYSA-N
MW332.40 g/mol
LogP0.46
Rot. Bonds5

About 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid

5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 129468254) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID129468254
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid
SMILESCS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(C(=O)O)s2)C1
InChIInChI=1S/C12H16N2O5S2/c1-21(18,19)14-5-4-8(7-14)6-13-11(15)9-2-3-10(20-9)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyVGMKBHVOIMWPHV-MRVPVSSYSA-N
XLogP0.46
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-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

5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
4-[(1-methylsulfonylpiperidin-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 77078744
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylsulfonylpyrrolidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066651
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125157866
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-(4-methylsulfonylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 60721956
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
CID 71910674
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46983824
6-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160476

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid (CID 129468254) is 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid is CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(C(=O)O)s2)C1.
What is the InChIKey of 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is VGMKBHVOIMWPHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-21(18,19)14-5-4-8(7-14)6-13-11(15)9-2-3-10(20-9)12(16)17/h2-3,8H,4-7H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid?
5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 129468254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).