N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide

C9H16N6O3S — CID 47937381

IUPACN-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)Cn2cnnn2)C1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-3-8(5-15)11-9(16)6-14-7-10-12-13-14/h7-8H,2-6H2,1H3,(H,11,16)
InChIKeyIEERBZUJWASKNV-UHFFFAOYSA-N
MW288.33 g/mol
LogP-1.79
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide

N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 47937381) has the molecular formula C9H16N6O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID47937381
Molecular FormulaC9H16N6O3S
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)Cn2cnnn2)C1
InChIInChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-3-8(5-15)11-9(16)6-14-7-10-12-13-14/h7-8H,2-6H2,1H3,(H,11,16)
InChIKeyIEERBZUJWASKNV-UHFFFAOYSA-N
XLogP-1.79
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-1-(3-fluoropiperidin-1-yl)-1-oxopropan-2-yl]-2-(tetrazol-1-yl)acetamide
CID 138023935
N-piperidin-4-yl-2-(tetrazol-1-yl)acetamide
CID 43167635
N-methyl-N-piperidin-4-yl-2-(tetrazol-1-yl)acetamide
CID 43602134
N-piperidin-3-yl-2-(tetrazol-1-yl)acetamide
CID 43603711
2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46957626
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47036551
2-methyl-N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]propanamide
CID 47041996
N-[1-[2-(tetrazol-1-yl)acetyl]piperidin-4-yl]pentanamide
CID 47042913
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
1-(1-Methylsulfonylpiperidin-4-yl)-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 51084115
N-[3-(2-methylpiperidin-1-yl)propyl]-2-(tetrazol-1-yl)acetamide
CID 53503852
N-(1-acetylpiperidin-4-yl)-2-(tetrazol-1-yl)acetamide
CID 53505430

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide (CID 47937381) is N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide is CS(=O)(=O)N1CCCC(NC(=O)Cn2cnnn2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is IEERBZUJWASKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3S/c1-19(17,18)15-4-2-3-8(5-15)11-9(16)6-14-7-10-12-13-14/h7-8H,2-6H2,1H3,(H,11,16).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide?
N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 288.33 g/mol, XLogP of -1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 47937381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).