1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

C12H18ClN3O3S2 — CID 61045949

IUPAC1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-8-11(20-12(13)14-8)21(18,19)16-6-4-9(5-7-16)10(17)15(2)3/h9H,4-7H2,1-3H3
InChIKeyDLUNJQXTAVEEBW-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.59
Rot. Bonds3

About 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 61045949) has the molecular formula C12H18ClN3O3S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID61045949
Molecular FormulaC12H18ClN3O3S2
Molecular Weight351.88 g/mol
Exact Mass351.05
IUPAC Name1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H18ClN3O3S2/c1-8-11(20-12(13)14-8)21(18,19)16-6-4-9(5-7-16)10(17)15(2)3/h9H,4-7H2,1-3H3
InChIKeyDLUNJQXTAVEEBW-UHFFFAOYSA-N
XLogP1.59
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 61041111
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 43456060
(3S)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 107271319
2-chloro-5-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 103532801
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methylthiomorpholine
CID 115671947
1-[1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889113
ethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 43648322
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N-methylpyrrolidine-2-carboxamide
CID 54979772
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1,4-oxazepane
CID 62973431
2-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 55061949
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63236535
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-ethylmorpholine
CID 43562748

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 61045949) is 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is Cc1nc(Cl)sc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is DLUNJQXTAVEEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S2/c1-8-11(20-12(13)14-8)21(18,19)16-6-4-9(5-7-16)10(17)15(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 61045949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).