N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide

C17H24N6O3S — CID 1469319

IUPACN-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H24N6O3S/c1-3-12(2)18-17(24)14-8-10-23(11-9-14)27(25,26)15-6-4-13(5-7-15)16-19-21-22-20-16/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12-/m0/s1
InChIKeyPGVPYEHVVWHQDA-LBPRGKRZSA-N
MW392.49 g/mol
LogP1.18
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 1469319) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID1469319
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H24N6O3S/c1-3-12(2)18-17(24)14-8-10-23(11-9-14)27(25,26)15-6-4-13(5-7-15)16-19-21-22-20-16/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12-/m0/s1
InChIKeyPGVPYEHVVWHQDA-LBPRGKRZSA-N
XLogP1.18
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469325
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-[(2S)-1-aminopropan-2-yl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 120507976
N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 167809189
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
N-(1-methoxypropan-2-yl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 51144176
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
N-[(2S)-butan-2-yl]-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 93068990
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 1469319) is N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide is CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is PGVPYEHVVWHQDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-3-12(2)18-17(24)14-8-10-23(11-9-14)27(25,26)15-6-4-13(5-7-15)16-19-21-22-20-16/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1469319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).