N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide

C16H19N3O3S2 — CID 31289951

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19N3O3S2/c1-18-11-12-23-16(18)17-15(20)13-7-3-4-8-14(13)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3/b17-16-
InChIKeyCSSWFSAQAFZYGN-MSUUIHNZSA-N
MW365.48 g/mol
LogP2.00
Rot. Bonds3

About N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide

N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 31289951) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID31289951
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccs/c1=N\C(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H19N3O3S2/c1-18-11-12-23-16(18)17-15(20)13-7-3-4-8-14(13)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3/b17-16-
InChIKeyCSSWFSAQAFZYGN-MSUUIHNZSA-N
XLogP2.00
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)-5-morpholin-4-ylsulfonylbenzamide
CID 24686586
2-(azetidin-1-ylsulfonyl)benzoic acid
CID 43440231
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602026
1-(2-methylsulfonylphenyl)sulfonylazepane
CID 86922481
methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
tert-butyl 4-(2-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 55527282
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 95772173
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide (CID 31289951) is N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide is Cn1ccs/c1=N\C(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CSSWFSAQAFZYGN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-18-11-12-23-16(18)17-15(20)13-7-3-4-8-14(13)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3/b17-16-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31289951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).