N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C12H19N3O3S2 — CID 27242370

IUPACN-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C12H19N3O3S2/c1-3-10-6-4-5-7-15(10)20(17,18)11-8-13-12(19-11)14-9(2)16/h8,10H,3-7H2,1-2H3,(H,13,14,16)/t10-/m0/s1
InChIKeyGNCCYSVWMQGBRW-JTQLQIEISA-N
MW317.44 g/mol
LogP2.05
Rot. Bonds4

About N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 27242370) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID27242370
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C12H19N3O3S2/c1-3-10-6-4-5-7-15(10)20(17,18)11-8-13-12(19-11)14-9(2)16/h8,10H,3-7H2,1-2H3,(H,13,14,16)/t10-/m0/s1
InChIKeyGNCCYSVWMQGBRW-JTQLQIEISA-N
XLogP2.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[5-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 46969512
3-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]propanoic acid
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5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
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N-[5-[2-(aminomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116640179
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
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[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
1-[5-(chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-ethylazepane
CID 104692838
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 27242370) is N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC[C@H]1CCCCN1S(=O)(=O)c1cnc(NC(C)=O)s1.
What is the InChIKey of N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GNCCYSVWMQGBRW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-10-6-4-5-7-15(10)20(17,18)11-8-13-12(19-11)14-9(2)16/h8,10H,3-7H2,1-2H3,(H,13,14,16)/t10-/m0/s1.
What are the key properties of N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 27242370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).