2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine

C13H17N5O2S — CID 3173758

IUPAC2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H17N5O2S/c1-11-4-2-3-9-18(11)21(19,20)13-7-5-12(6-8-13)17-10-14-15-16-17/h5-8,10-11H,2-4,9H2,1H3
InChIKeyVWYVPQIJDQMUQU-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine

2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine (PubChem CID 3173758) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
PubChem CID3173758
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H17N5O2S/c1-11-4-2-3-9-18(11)21(19,20)13-7-5-12(6-8-13)17-10-14-15-16-17/h5-8,10-11H,2-4,9H2,1H3
InChIKeyVWYVPQIJDQMUQU-UHFFFAOYSA-N
XLogP1.23
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 1456456
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2,5-dimethyl-4-[4-(tetrazol-1-yl)phenyl]sulfonylmorpholine
CID 49239732
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]azetidin-2-one
CID 71653935
2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]isoindole-1,3-dione
CID 71654095
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 650971
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The IUPAC name of 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine (CID 3173758) is 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The canonical SMILES for 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine is CC1CCCCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
The InChIKey is VWYVPQIJDQMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-11-4-2-3-9-18(11)21(19,20)13-7-5-12(6-8-13)17-10-14-15-16-17/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine?
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine has a molecular weight of 307.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 3173758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).