2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide

C8H14N6O2S — CID 3908975

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C8H14N6O2S/c1-3-4-9-7(16)10-6(15)5-17-8-11-12-13-14(8)2/h3-5H2,1-2H3,(H2,9,10,15,16)
InChIKeyASIKESLPGNGAQG-UHFFFAOYSA-N
MW258.31 g/mol
LogP-0.46
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 3908975) has the molecular formula C8H14N6O2S and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID3908975
Molecular FormulaC8H14N6O2S
Molecular Weight258.31 g/mol
Exact Mass258.09
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnnn1C
InChIInChI=1S/C8H14N6O2S/c1-3-4-9-7(16)10-6(15)5-17-8-11-12-13-14(8)2/h3-5H2,1-2H3,(H2,9,10,15,16)
InChIKeyASIKESLPGNGAQG-UHFFFAOYSA-N
XLogP-0.46
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide (CID 3908975) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is ASIKESLPGNGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2S/c1-3-4-9-7(16)10-6(15)5-17-8-11-12-13-14(8)2/h3-5H2,1-2H3,(H2,9,10,15,16).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 258.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 3908975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).