2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

C15H19N5O3S — CID 2991658

IUPAC2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)13-7-5-12(6-8-13)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyDWZNXXSNKPNXHM-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.76
Rot. Bonds4

About 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 2991658) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID2991658
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)13-7-5-12(6-8-13)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyDWZNXXSNKPNXHM-UHFFFAOYSA-N
XLogP0.76
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}acetamide
CID 6491356
N,N-diethyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 6491357
N-(1-ethyl-1-methylprop-2-ynyl)-2-{5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}acetamide
CID 3244820
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 24816589
N-benzyl-2-{5-[4-(methylthio)phenyl]-2H-tetrazol-2-yl}acetamide
CID 2948374
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 24981269
1-(3-methylpiperidin-1-yl)-2-{5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}ethanone
CID 6491358
N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 24687303
N-tert-butyl-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 715385
N-methyl-2-{5-[4-(methylsulfonyl)phenyl]-2H-tetrazol-2-yl}-N-phenylacetamide
CID 5299245
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508150
N-(1,1-dioxothiolan-3-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 25162124

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 2991658) is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is CS(=O)(=O)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is DWZNXXSNKPNXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(22,23)13-7-5-12(6-8-13)15-16-18-20(17-15)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 349.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 2991658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).