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

C16H20N6O3S — CID 3215997

IUPACN-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C16H20N6O3S/c1-2-9-17-16(23)13-4-3-10-21(11-13)26(24,25)15-7-5-14(6-8-15)22-12-18-19-20-22/h2,5-8,12-13H,1,3-4,9-11H2,(H,17,23)
InChIKeyGSICEAGXINKKFW-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.37
Rot. Bonds6

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

N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 3215997) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID3215997
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C16H20N6O3S/c1-2-9-17-16(23)13-4-3-10-21(11-13)26(24,25)15-7-5-14(6-8-15)22-12-18-19-20-22/h2,5-8,12-13H,1,3-4,9-11H2,(H,17,23)
InChIKeyGSICEAGXINKKFW-UHFFFAOYSA-N
XLogP0.37
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-3-carboxylic acid isobutyl-amide
CID 648370
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (3-methyl-butyl)-amide
CID 1452407
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
1-[4-(Tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 4278096

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 3215997) is N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is GSICEAGXINKKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-2-9-17-16(23)13-4-3-10-21(11-13)26(24,25)15-7-5-14(6-8-15)22-12-18-19-20-22/h2,5-8,12-13H,1,3-4,9-11H2,(H,17,23).
What are the key properties of N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3215997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).