(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride

C10H12ClNO3S2 — CID 42261450

IUPAC(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H12ClNO3S2/c11-10(13)8-3-1-5-12(7-8)17(14,15)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1
InChIKeyMNKMVTYIWZGYED-MRVPVSSYSA-N
MW293.80 g/mol
LogP1.91
Rot. Bonds3

About (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride

(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride (PubChem CID 42261450) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride.

Molecular Properties

Compound Name(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
PubChem CID42261450
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C10H12ClNO3S2/c11-10(13)8-3-1-5-12(7-8)17(14,15)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1
InChIKeyMNKMVTYIWZGYED-MRVPVSSYSA-N
XLogP1.91
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 ≤ 51.91
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

(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-cyclohexyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012508
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 26334488
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984

Frequently Asked Questions

What is the IUPAC name of (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride?
The IUPAC name of (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride (CID 42261450) is (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride.
What is the SMILES notation for (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride?
The canonical SMILES for (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride is O=C(Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride?
The InChIKey is MNKMVTYIWZGYED-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c11-10(13)8-3-1-5-12(7-8)17(14,15)9-4-2-6-16-9/h2,4,6,8H,1,3,5,7H2/t8-/m1/s1.
What are the key properties of (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride?
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride has a molecular weight of 293.80 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride is sourced from PubChem (CID 42261450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).