(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C15H21ClN2O3S2 — CID 91910299

IUPAC(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-8-5-11(6-9-18)12-4-7-17(10-12)15(19)13-2-3-14(16)22-13/h2-3,11-12H,4-10H2,1H3
InChIKeyHHSUFZRHCGBDJF-UHFFFAOYSA-N
MW376.93 g/mol
LogP2.54
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91910299) has the molecular formula C15H21ClN2O3S2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91910299
Molecular FormulaC15H21ClN2O3S2
Molecular Weight376.93 g/mol
Exact Mass376.07
IUPAC Name(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1
InChIInChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-8-5-11(6-9-18)12-4-7-17(10-12)15(19)13-2-3-14(16)22-13/h2-3,11-12H,4-10H2,1H3
InChIKeyHHSUFZRHCGBDJF-UHFFFAOYSA-N
XLogP2.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91910299) is (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc(Cl)s3)C2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HHSUFZRHCGBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S2/c1-23(20,21)18-8-5-11(6-9-18)12-4-7-17(10-12)15(19)13-2-3-14(16)22-13/h2-3,11-12H,4-10H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 376.93 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91910299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).