(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H23N3O4S2 — CID 47910031

IUPAC(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1
InChIInChI=1S/C16H23N3O4S2/c1-25(22,23)18-8-2-5-12(11-18)17-15(20)13-6-3-9-19(13)16(21)14-7-4-10-24-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,17,20)/t12?,13-/m0/s1
InChIKeySOQGCENYEAEZFU-ABLWVSNPSA-N
MW385.51 g/mol
LogP0.89
Rot. Bonds4

About (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47910031) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47910031
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1
InChIInChI=1S/C16H23N3O4S2/c1-25(22,23)18-8-2-5-12(11-18)17-15(20)13-6-3-9-19(13)16(21)14-7-4-10-24-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,17,20)/t12?,13-/m0/s1
InChIKeySOQGCENYEAEZFU-ABLWVSNPSA-N
XLogP0.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47909570
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
(2S)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41183676
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2S)-N'-(4-methylsulfonylbenzoyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 39049673
N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843061
(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18163760
(2S)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2576189

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 47910031) is (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1.
What is the InChIKey of (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is SOQGCENYEAEZFU-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-25(22,23)18-8-2-5-12(11-18)17-15(20)13-6-3-9-19(13)16(21)14-7-4-10-24-14/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,17,20)/t12?,13-/m0/s1.
What are the key properties of (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylsulfonylpiperidin-3-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47910031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).