1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine

C17H25N5O2S — CID 23607807

IUPAC1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
SMILESCCCCS(=O)(=O)N1CCC(c2nnnn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N5O2S/c1-3-4-13-25(23,24)21-11-9-15(10-12-21)17-18-19-20-22(17)16-7-5-14(2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyJVCWFFRKILVVGL-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.28
Rot. Bonds6

About 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine

1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine (PubChem CID 23607807) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
PubChem CID23607807
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
SMILESCCCCS(=O)(=O)N1CCC(c2nnnn2-c2ccc(C)cc2)CC1
InChIInChI=1S/C17H25N5O2S/c1-3-4-13-25(23,24)21-11-9-15(10-12-21)17-18-19-20-22(17)16-7-5-14(2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyJVCWFFRKILVVGL-UHFFFAOYSA-N
XLogP2.28
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
CID 23607692
2-(1-butylsulfonylpiperidin-4-yl)-5-methyl-1,3,4-oxadiazole
CID 110603745
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-[3-(1-butylsulfonylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554755
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
[2-(4-methylanilino)-2-oxoethyl] 1-butylsulfonylpiperidine-4-carboxylate
CID 55785196
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
1-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46456147
1-(4-butylsulfonylpiperazin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 108568996

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine (CID 23607807) is 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine is CCCCS(=O)(=O)N1CCC(c2nnnn2-c2ccc(C)cc2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The InChIKey is JVCWFFRKILVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-4-13-25(23,24)21-11-9-15(10-12-21)17-18-19-20-22(17)16-7-5-14(2)6-8-16/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine has a molecular weight of 363.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-[1-(4-methylphenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 23607807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).