[cyclopentylmethyl(methyl)amino] thiohypochlorite

C7H14ClNS — CID 166804405

IUPAC[cyclopentylmethyl(methyl)amino] thiohypochlorite
SMILESCN(CC1CCCC1)SCl
InChIInChI=1S/C7H14ClNS/c1-9(10-8)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyZFLQZKBTOOFFLV-UHFFFAOYSA-N
MW179.72 g/mol
LogP2.91
Rot. Bonds3

About [cyclopentylmethyl(methyl)amino] thiohypochlorite

[cyclopentylmethyl(methyl)amino] thiohypochlorite (PubChem CID 166804405) has the molecular formula C7H14ClNS and a molecular weight of 179.72 g/mol. Its IUPAC name is [cyclopentylmethyl(methyl)amino] thiohypochlorite.

Molecular Properties

Compound Name[cyclopentylmethyl(methyl)amino] thiohypochlorite
PubChem CID166804405
Molecular FormulaC7H14ClNS
Molecular Weight179.72 g/mol
Exact Mass179.05
IUPAC Name[cyclopentylmethyl(methyl)amino] thiohypochlorite
SMILESCN(CC1CCCC1)SCl
InChIInChI=1S/C7H14ClNS/c1-9(10-8)6-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyZFLQZKBTOOFFLV-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.72
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [cyclopentylmethyl(methyl)amino] thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclopentylmethyl(methyl)amino] thiohypochlorite?
The IUPAC name of [cyclopentylmethyl(methyl)amino] thiohypochlorite (CID 166804405) is [cyclopentylmethyl(methyl)amino] thiohypochlorite.
What is the SMILES notation for [cyclopentylmethyl(methyl)amino] thiohypochlorite?
The canonical SMILES for [cyclopentylmethyl(methyl)amino] thiohypochlorite is CN(CC1CCCC1)SCl.
What is the InChIKey of [cyclopentylmethyl(methyl)amino] thiohypochlorite?
The InChIKey is ZFLQZKBTOOFFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNS/c1-9(10-8)6-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of [cyclopentylmethyl(methyl)amino] thiohypochlorite?
[cyclopentylmethyl(methyl)amino] thiohypochlorite has a molecular weight of 179.72 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentylmethyl(methyl)amino] thiohypochlorite is sourced from PubChem (CID 166804405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).