N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C15H26N4O3S — CID 93068990

IUPACN-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(3)17-15(20)13-6-8-19(9-7-13)23(21,22)14-10-18(5-2)11-16-14/h10-13H,4-9H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyWKIYBCVOHNJOGZ-LBPRGKRZSA-N
MW342.47 g/mol
LogP1.22
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 93068990) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID93068990
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1
InChIInChI=1S/C15H26N4O3S/c1-4-12(3)17-15(20)13-6-8-19(9-7-13)23(21,22)14-10-18(5-2)11-16-14/h10-13H,4-9H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyWKIYBCVOHNJOGZ-LBPRGKRZSA-N
XLogP1.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylimidazol-4-yl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 53085516
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
N-[(4-bromophenyl)methyl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085528
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
1-(1-ethylimidazol-4-yl)sulfonyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-4-carboxamide
CID 53029147
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 79369875
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
N-butan-2-yl-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4136250

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 93068990) is N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cn(CC)cn2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WKIYBCVOHNJOGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-4-12(3)17-15(20)13-6-8-19(9-7-13)23(21,22)14-10-18(5-2)11-16-14/h10-13H,4-9H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 93068990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).