2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride

C12H16ClNO3S2 — CID 112676691

IUPAC2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S2/c1-8-5-3-4-6-14(8)12(15)10-7-11(9(2)18-10)19(13,16)17/h7-8H,3-6H2,1-2H3
InChIKeyVOJZQTBBDNFQHU-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.00
Rot. Bonds2

About 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride

2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride (PubChem CID 112676691) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
PubChem CID112676691
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S2/c1-8-5-3-4-6-14(8)12(15)10-7-11(9(2)18-10)19(13,16)17/h7-8H,3-6H2,1-2H3
InChIKeyVOJZQTBBDNFQHU-UHFFFAOYSA-N
XLogP3.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
5-(2-methylazepane-1-carbonyl)-1H-pyrrole-3-sulfonyl chloride
CID 65366989
2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65370004
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 65366871
(2-ethylcyclohexyl) 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 115994120
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
(2-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 18711915
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
CID 107421002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride (CID 112676691) is 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride is Cc1sc(C(=O)N2CCCCC2C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride?
The InChIKey is VOJZQTBBDNFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c1-8-5-3-4-6-14(8)12(15)10-7-11(9(2)18-10)19(13,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride?
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride has a molecular weight of 321.85 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).