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

C9H15N5OS — CID 861211

IUPACN-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C9H15N5OS/c1-14-9(11-12-13-14)16-6-8(15)10-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,15)
InChIKeyCZGXZJKOFDSZBT-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.36
Rot. Bonds4

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

N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 861211) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID861211
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC NameN-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C9H15N5OS/c1-14-9(11-12-13-14)16-6-8(15)10-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,15)
InChIKeyCZGXZJKOFDSZBT-UHFFFAOYSA-N
XLogP0.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 861211) is N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CZGXZJKOFDSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-14-9(11-12-13-14)16-6-8(15)10-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,10,15).
What are the key properties of N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 241.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 861211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).