N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C9H16N6O2S — CID 7786221

IUPACN-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C9H16N6O2S/c1-6(2)4-10-8(17)11-7(16)5-18-9-12-13-14-15(9)3/h6H,4-5H2,1-3H3,(H2,10,11,16,17)
InChIKeyNXTWWKRNTRKSFF-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.22
Rot. Bonds5

About N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 7786221) has the molecular formula C9H16N6O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID7786221
Molecular FormulaC9H16N6O2S
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC NameN-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C9H16N6O2S/c1-6(2)4-10-8(17)11-7(16)5-18-9-12-13-14-15(9)3/h6H,4-5H2,1-3H3,(H2,10,11,16,17)
InChIKeyNXTWWKRNTRKSFF-UHFFFAOYSA-N
XLogP-0.22
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 7786221) is N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC(C)CNC(=O)NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is NXTWWKRNTRKSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2S/c1-6(2)4-10-8(17)11-7(16)5-18-9-12-13-14-15(9)3/h6H,4-5H2,1-3H3,(H2,10,11,16,17).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 272.33 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 7786221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).