1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine

C13H17N5O3S — CID 91909491

IUPAC1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C13H17N5O3S/c1-21-11-5-2-6-12(8-11)22(19,20)18-7-3-4-10(9-18)13-14-16-17-15-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,14,15,16,17)
InChIKeyMPDHDUHZBIWTAW-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.78
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine

1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine (PubChem CID 91909491) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
PubChem CID91909491
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)c1
InChIInChI=1S/C13H17N5O3S/c1-21-11-5-2-6-12(8-11)22(19,20)18-7-3-4-10(9-18)13-14-16-17-15-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,14,15,16,17)
InChIKeyMPDHDUHZBIWTAW-UHFFFAOYSA-N
XLogP0.78
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171
4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425
6-[(dimethylamino)methyl]-2-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]-N,N-dimethylpyrimidin-4-amine
CID 95830239
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
3-[1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 119102477
3-[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole
CID 129417378
1-(3-methoxyphenyl)sulfonyl-3-thiophen-2-ylpyrrolidine
CID 131703854
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675747
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide
CID 70088687

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine (CID 91909491) is 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine is COc1cccc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The InChIKey is MPDHDUHZBIWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-21-11-5-2-6-12(8-11)22(19,20)18-7-3-4-10(9-18)13-14-16-17-15-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,14,15,16,17).
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine has a molecular weight of 323.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 91909491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).