1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile

C16H21N3O3S2 — CID 49062573

IUPAC1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(C#N)CC2)s1
InChIInChI=1S/C16H21N3O3S2/c1-12-4-5-15(23-12)24(21,22)19-8-2-3-14(19)16(20)18-9-6-13(11-17)7-10-18/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyZJAAJIRSWBXYGH-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.97
Rot. Bonds3

About 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile

1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile (PubChem CID 49062573) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
PubChem CID49062573
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(C#N)CC2)s1
InChIInChI=1S/C16H21N3O3S2/c1-12-4-5-15(23-12)24(21,22)19-8-2-3-14(19)16(20)18-9-6-13(11-17)7-10-18/h4-5,13-14H,2-3,6-10H2,1H3
InChIKeyZJAAJIRSWBXYGH-UHFFFAOYSA-N
XLogP1.97
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile 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-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167253
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 120655530
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 16801813
ethyl 5-[2-(4-cyanopiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate
CID 49062122
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
3-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propanoic acid
CID 132970865
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 126810670
(2,3-dimethylphenyl) 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 78845702
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile (CID 49062573) is 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCC(C#N)CC2)s1.
What is the InChIKey of 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile?
The InChIKey is ZJAAJIRSWBXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-12-4-5-15(23-12)24(21,22)19-8-2-3-14(19)16(20)18-9-6-13(11-17)7-10-18/h4-5,13-14H,2-3,6-10H2,1H3.
What are the key properties of 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile?
1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile has a molecular weight of 367.50 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49062573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).