4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride

C11H14ClNO3S2 — CID 65367626

IUPAC4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCC1CCCN(C(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C11H14ClNO3S2/c1-8-3-2-4-13(6-8)11(14)9-5-10(17-7-9)18(12,15)16/h5,7-8H,2-4,6H2,1H3
InChIKeyRMXWEXLWPNLJQE-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.55
Rot. Bonds2

About 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride

4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (PubChem CID 65367626) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
PubChem CID65367626
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCC1CCCN(C(=O)c2csc(S(=O)(=O)Cl)c2)C1
InChIInChI=1S/C11H14ClNO3S2/c1-8-3-2-4-13(6-8)11(14)9-5-10(17-7-9)18(12,15)16/h5,7-8H,2-4,6H2,1H3
InChIKeyRMXWEXLWPNLJQE-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79807433
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368020
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 112734617
(3-methylcyclohexyl) 5-chlorosulfonylthiophene-3-carboxylate
CID 65374319
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (CID 65367626) is 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is CC1CCCN(C(=O)c2csc(S(=O)(=O)Cl)c2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The InChIKey is RMXWEXLWPNLJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-8-3-2-4-13(6-8)11(14)9-5-10(17-7-9)18(12,15)16/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride has a molecular weight of 307.82 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65367626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).