N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide

C15H20N6O3S — CID 4869880

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H20N6O3S/c1-12-5-6-13(25(23,24)21-7-3-2-4-8-21)9-14(12)17-15(22)10-20-11-16-18-19-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,22)
InChIKeyYGNSXXPYVCIUIN-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.79
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 4869880) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID4869880
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H20N6O3S/c1-12-5-6-13(25(23,24)21-7-3-2-4-8-21)9-14(12)17-15(22)10-20-11-16-18-19-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,22)
InChIKeyYGNSXXPYVCIUIN-UHFFFAOYSA-N
XLogP0.79
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide (CID 4869880) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is YGNSXXPYVCIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-12-5-6-13(25(23,24)21-7-3-2-4-8-21)9-14(12)17-15(22)10-20-11-16-18-19-20/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,17,22).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 4869880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).