(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid

C12H16N2O5S2 — CID 120514157

IUPAC(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-7-9)11(15)14-4-2-3-8(6-14)12(16)17/h5,7-8,13H,2-4,6H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyAKZWIKIAQOHMAP-QMMMGPOBSA-N
MW332.40 g/mol
LogP0.59
Rot. Bonds4

About (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 120514157) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID120514157
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC Name(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-7-9)11(15)14-4-2-3-8(6-14)12(16)17/h5,7-8,13H,2-4,6H2,1H3,(H,16,17)/t8-/m0/s1
InChIKeyAKZWIKIAQOHMAP-QMMMGPOBSA-N
XLogP0.59
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482039
6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514751
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
CID 120994763
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 124595434
5-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 96527844
2-[4-(methylsulfamoyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534079
cis-(1R,3S)-3-[[4-(methylsulfamoyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678188
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
(4-methoxythiophen-2-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124572642
1-[4-(tert-butylsulfamoyl)benzoyl]piperidine-3-carboxylic acid
CID 119113729

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid (CID 120514157) is (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid is CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H](C(=O)O)C2)c1.
What is the InChIKey of (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is AKZWIKIAQOHMAP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-13-21(18,19)9-5-10(20-7-9)11(15)14-4-2-3-8(6-14)12(16)17/h5,7-8,13H,2-4,6H2,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120514157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).