N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C9H15N5OS — CID 17394500

IUPACN-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H15N5OS/c1-6(2)14-9(11-12-13-14)16-5-8(15)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15)
InChIKeyPNSOGMXXTQMIIN-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.62
Rot. Bonds5

About N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 17394500) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID17394500
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC NameN-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NC1CC1
InChIInChI=1S/C9H15N5OS/c1-6(2)14-9(11-12-13-14)16-5-8(15)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15)
InChIKeyPNSOGMXXTQMIIN-UHFFFAOYSA-N
XLogP0.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 17394500) is N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PNSOGMXXTQMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-6(2)14-9(11-12-13-14)16-5-8(15)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,15).
What are the key properties of N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 17394500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).