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

C12H16ClNO3S2 — CID 79807433

IUPAC3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N2CCCC(C)C2)csc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S2/c1-8-4-3-5-14(6-8)11(15)10-7-18-12(9(10)2)19(13,16)17/h7-8H,3-6H2,1-2H3
InChIKeyJBIGVIOEEJQRPC-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.86
Rot. Bonds2

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

3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (PubChem CID 79807433) has the molecular formula C12H16ClNO3S2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
PubChem CID79807433
Molecular FormulaC12H16ClNO3S2
Molecular Weight321.85 g/mol
Exact Mass321.03
IUPAC Name3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)N2CCCC(C)C2)csc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClNO3S2/c1-8-4-3-5-14(6-8)11(15)10-7-18-12(9(10)2)19(13,16)17/h7-8H,3-6H2,1-2H3
InChIKeyJBIGVIOEEJQRPC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-methylpyrrolidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 79808382
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
2-fluoro-3-methyl-5-(3-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368020
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60635809
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368481
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride (CID 79807433) is 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is Cc1c(C(=O)N2CCCC(C)C2)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
The InChIKey is JBIGVIOEEJQRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S2/c1-8-4-3-5-14(6-8)11(15)10-7-18-12(9(10)2)19(13,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride?
3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride has a molecular weight of 321.85 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79807433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).