(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine

C13H17N3O2S2 — CID 42276151

IUPAC(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine
SMILESCc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1
InChIInChI=1S/C13H17N3O2S2/c1-10-7-14-15-13(10)11-3-2-5-16(8-11)20(17,18)12-4-6-19-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyPJWRNQXPQPYPLQ-NSHDSACASA-N
MW311.43 g/mol
LogP2.35
Rot. Bonds3

About (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine

(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine (PubChem CID 42276151) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine.

Molecular Properties

Compound Name(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine
PubChem CID42276151
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine
SMILESCc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1
InChIInChI=1S/C13H17N3O2S2/c1-10-7-14-15-13(10)11-3-2-5-16(8-11)20(17,18)12-4-6-19-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyPJWRNQXPQPYPLQ-NSHDSACASA-N
XLogP2.35
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine?
The IUPAC name of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine (CID 42276151) is (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine.
What is the SMILES notation for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine?
The canonical SMILES for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine is Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccsc2)C1.
What is the InChIKey of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine?
The InChIKey is PJWRNQXPQPYPLQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-10-7-14-15-13(10)11-3-2-5-16(8-11)20(17,18)12-4-6-19-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine?
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine has a molecular weight of 311.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methyl-1H-pyrazol-5-yl)-1-thiophen-3-ylsulfonylpiperidine is sourced from PubChem (CID 42276151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).