N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide

C14H18N6O3S — CID 4839349

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H18N6O3S/c21-14(10-19-11-15-17-18-19)16-12-5-4-6-13(9-12)24(22,23)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21)
InChIKeyJUCSROHCOLQPBA-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.49
Rot. Bonds5

About N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide

N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 4839349) has the molecular formula C14H18N6O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID4839349
Molecular FormulaC14H18N6O3S
Molecular Weight350.40 g/mol
Exact Mass350.12
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C14H18N6O3S/c21-14(10-19-11-15-17-18-19)16-12-5-4-6-13(9-12)24(22,23)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21)
InChIKeyJUCSROHCOLQPBA-UHFFFAOYSA-N
XLogP0.49
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide (CID 4839349) is N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is JUCSROHCOLQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3S/c21-14(10-19-11-15-17-18-19)16-12-5-4-6-13(9-12)24(22,23)20-7-2-1-3-8-20/h4-6,9,11H,1-3,7-8,10H2,(H,16,21).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 350.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 4839349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).