(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone

C11H14ClNO3S2 — CID 71805661

IUPAC(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO3S2/c1-18(15,16)8-4-6-13(7-5-8)11(14)9-2-3-10(12)17-9/h2-3,8H,4-7H2,1H3
InChIKeyUWSFPFYLXHHMGH-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.05
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone (PubChem CID 71805661) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
PubChem CID71805661
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO3S2/c1-18(15,16)8-4-6-13(7-5-8)11(14)9-2-3-10(12)17-9/h2-3,8H,4-7H2,1H3
InChIKeyUWSFPFYLXHHMGH-UHFFFAOYSA-N
XLogP2.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone (CID 71805661) is (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
The InChIKey is UWSFPFYLXHHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-18(15,16)8-4-6-13(7-5-8)11(14)9-2-3-10(12)17-9/h2-3,8H,4-7H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone has a molecular weight of 307.82 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 71805661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).