(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride

C10H12ClNO3S2 — CID 42281719

IUPAC(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H12ClNO3S2/c11-10(13)8-4-1-2-6-12(8)17(14,15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2/t8-/m0/s1
InChIKeyYGXIEGGMJPGGPB-QMMMGPOBSA-N
MW293.80 g/mol
LogP2.06
Rot. Bonds3

About (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride

(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride (PubChem CID 42281719) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride.

Molecular Properties

Compound Name(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
PubChem CID42281719
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C10H12ClNO3S2/c11-10(13)8-4-1-2-6-12(8)17(14,15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2/t8-/m0/s1
InChIKeyYGXIEGGMJPGGPB-QMMMGPOBSA-N
XLogP2.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-thiophen-2-ylsulfonylpiperidine-2-carboximidamide
CID 77041831
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2R)-N-(4-chlorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614814
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(2,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826422
N-(6-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826437
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719

Frequently Asked Questions

What is the IUPAC name of (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride?
The IUPAC name of (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride (CID 42281719) is (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride.
What is the SMILES notation for (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride?
The canonical SMILES for (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride is O=C(Cl)[C@@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride?
The InChIKey is YGXIEGGMJPGGPB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c11-10(13)8-4-1-2-6-12(8)17(14,15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2/t8-/m0/s1.
What are the key properties of (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride?
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride has a molecular weight of 293.80 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride is sourced from PubChem (CID 42281719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).