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

C20H28N6O3S — CID 3213006

IUPACN-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C20H28N6O3S/c1-15-4-2-3-5-19(15)22-20(27)16-10-12-25(13-11-16)30(28,29)18-8-6-17(7-9-18)26-14-21-23-24-26/h6-9,14-16,19H,2-5,10-13H2,1H3,(H,22,27)
InChIKeyJNHUDBHMUSMDDS-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.76
Rot. Bonds5

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

N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 3213006) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID3213006
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC NameN-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C20H28N6O3S/c1-15-4-2-3-5-19(15)22-20(27)16-10-12-25(13-11-16)30(28,29)18-8-6-17(7-9-18)26-14-21-23-24-26/h6-9,14-16,19H,2-5,10-13H2,1H3,(H,22,27)
InChIKeyJNHUDBHMUSMDDS-UHFFFAOYSA-N
XLogP1.76
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.76
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-3-carboxylic acid isobutyl-amide
CID 648370
1-benzylsulfonyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 654530
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-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 3213006) is N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is JNHUDBHMUSMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-15-4-2-3-5-19(15)22-20(27)16-10-12-25(13-11-16)30(28,29)18-8-6-17(7-9-18)26-14-21-23-24-26/h6-9,14-16,19H,2-5,10-13H2,1H3,(H,22,27).
What are the key properties of N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3213006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).