2-(sulfinatoamino)ethylcyclohexane

C8H16NO2S- — CID 57019003

IUPAC2-(sulfinatoamino)ethylcyclohexane
SMILESO=S([O-])NCCC1CCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyZVIASXFUQYFAOW-UHFFFAOYSA-M
MW190.29 g/mol
LogP1.34
Rot. Bonds4

About 2-(sulfinatoamino)ethylcyclohexane

2-(sulfinatoamino)ethylcyclohexane (PubChem CID 57019003) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(sulfinatoamino)ethylcyclohexane.

Molecular Properties

Compound Name2-(sulfinatoamino)ethylcyclohexane
PubChem CID57019003
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name2-(sulfinatoamino)ethylcyclohexane
SMILESO=S([O-])NCCC1CCCCC1
InChIInChI=1S/C8H17NO2S/c10-12(11)9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11)/p-1
InChIKeyZVIASXFUQYFAOW-UHFFFAOYSA-M
XLogP1.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(sulfinatoamino)ethylcyclohexane with MolForge

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

Launch Full Analysis

Related Compounds

2-Cyclohexylethylamine
CID 20509
4-Cyclohexylbutan-1-amine
CID 3058956
3-Cyclohexylpropylamine
CID 12666390
sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786
(7-Methyloctyl)sulfamate
CID 24796788
1-cyclohexyl-N-(cyclohexylmethylsulfamoyl)methanamine
CID 102243143
Nonadeutero-phenylethylamine
CID 129847478
N-(cyclohexylmethyl)aminosulfonamide
CID 17894196
N-(cyclohexylmethyl)sulfamoyl chloride
CID 22279401

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatoamino)ethylcyclohexane?
The IUPAC name of 2-(sulfinatoamino)ethylcyclohexane (CID 57019003) is 2-(sulfinatoamino)ethylcyclohexane.
What is the SMILES notation for 2-(sulfinatoamino)ethylcyclohexane?
The canonical SMILES for 2-(sulfinatoamino)ethylcyclohexane is O=S([O-])NCCC1CCCCC1.
What is the InChIKey of 2-(sulfinatoamino)ethylcyclohexane?
The InChIKey is ZVIASXFUQYFAOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c10-12(11)9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11)/p-1.
What are the key properties of 2-(sulfinatoamino)ethylcyclohexane?
2-(sulfinatoamino)ethylcyclohexane has a molecular weight of 190.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)ethylcyclohexane is sourced from PubChem (CID 57019003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).