[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone

C14H19ClN2O3S2 — CID 16801813

IUPAC[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C14H19ClN2O3S2/c15-12-6-7-13(21-12)22(19,20)17-10-2-1-5-11(17)14(18)16-8-3-4-9-16/h6-7,11H,1-5,8-10H2
InChIKeyKRKKHPCRBANCPO-UHFFFAOYSA-N
MW362.90 g/mol
LogP2.57
Rot. Bonds3

About [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone

[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 16801813) has the molecular formula C14H19ClN2O3S2 and a molecular weight of 362.90 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID16801813
Molecular FormulaC14H19ClN2O3S2
Molecular Weight362.90 g/mol
Exact Mass362.05
IUPAC Name[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCC1
InChIInChI=1S/C14H19ClN2O3S2/c15-12-6-7-13(21-12)22(19,20)17-10-2-1-5-11(17)14(18)16-8-3-4-9-16/h6-7,11H,1-5,8-10H2
InChIKeyKRKKHPCRBANCPO-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 16801815
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43981629
[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-[4-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16874813
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 16826687
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614869
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 7614870
1-(5-chlorothiophen-2-yl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16830926

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 16801813) is [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCCN1S(=O)(=O)c1ccc(Cl)s1)N1CCCC1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KRKKHPCRBANCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S2/c15-12-6-7-13(21-12)22(19,20)17-10-2-1-5-11(17)14(18)16-8-3-4-9-16/h6-7,11H,1-5,8-10H2.
What are the key properties of [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.90 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 16801813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).