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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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).