N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C17H24N6O3S — CID 648370

IUPACN-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C17H24N6O3S/c1-13(2)10-18-17(24)14-4-3-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,18,24)
InChIKeyVUYYIVRINKTMEC-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.84
Rot. Bonds6

About N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 648370) has the molecular formula C17H24N6O3S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID648370
Molecular FormulaC17H24N6O3S
Molecular Weight392.49 g/mol
Exact Mass392.16
IUPAC NameN-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C17H24N6O3S/c1-13(2)10-18-17(24)14-4-3-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,18,24)
InChIKeyVUYYIVRINKTMEC-UHFFFAOYSA-N
XLogP0.84
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid allylamide
CID 3215997
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid cyclopropylmethyl-amide
CID 644409
(4-Phenyl-piperazin-1-yl)-[1-(4-tetrazol-1-yl-benzenesulfonyl)-piperidin-4-yl]-methanone
CID 646218
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (3-methyl-butyl)-amide
CID 1452407
N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455267
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (2-methyl-cyclohexyl)-amide
CID 3213006
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid benzylamide
CID 3214815
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid (2-fluoro-phenyl)-amide
CID 3214830
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid (4-acetylamino-phenyl)-amide
CID 3215998
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid [1-(4-fluoro-phenyl)-ethyl]-amide
CID 3216013
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid 2-fluoro-benzylamide
CID 24792545

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 648370) is N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is CC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is VUYYIVRINKTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S/c1-13(2)10-18-17(24)14-4-3-9-22(11-14)27(25,26)16-7-5-15(6-8-16)23-12-19-20-21-23/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,18,24).
What are the key properties of N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 648370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).