1-(sulfinatoamino)ethylcyclohexane

C8H16NO2S- — CID 57082838

IUPAC1-(sulfinatoamino)ethylcyclohexane
SMILESCC(NS(=O)[O-])C1CCCCC1
InChIInChI=1S/C8H17NO2S/c1-7(9-12(10)11)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11)/p-1
InChIKeyQBMQKCVAFVCWEL-UHFFFAOYSA-M
MW190.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(sulfinatoamino)ethylcyclohexane

1-(sulfinatoamino)ethylcyclohexane (PubChem CID 57082838) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(sulfinatoamino)ethylcyclohexane.

Molecular Properties

Compound Name1-(sulfinatoamino)ethylcyclohexane
PubChem CID57082838
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name1-(sulfinatoamino)ethylcyclohexane
SMILESCC(NS(=O)[O-])C1CCCCC1
InChIInChI=1S/C8H17NO2S/c1-7(9-12(10)11)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11)/p-1
InChIKeyQBMQKCVAFVCWEL-UHFFFAOYSA-M
XLogP1.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

1-Cyclohexylethan-1-amine hydrochloride
CID 214023
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
4-Butylcyclohexylamine
CID 425326
(2R)-1-cyclohexylpropan-2-amine
CID 12878584
4-Propylcyclohexylamine
CID 544651
2-Ethylcyclohexan-1-amine
CID 544854
Cyclohexaneethylamine, alpha-methyl-, hydrochloride, (+-)-
CID 115664
4-Ethylcyclohexan-1-amine
CID 420819
2-Propylcyclohexanamine
CID 14275505

Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)ethylcyclohexane?
The IUPAC name of 1-(sulfinatoamino)ethylcyclohexane (CID 57082838) is 1-(sulfinatoamino)ethylcyclohexane.
What is the SMILES notation for 1-(sulfinatoamino)ethylcyclohexane?
The canonical SMILES for 1-(sulfinatoamino)ethylcyclohexane is CC(NS(=O)[O-])C1CCCCC1.
What is the InChIKey of 1-(sulfinatoamino)ethylcyclohexane?
The InChIKey is QBMQKCVAFVCWEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c1-7(9-12(10)11)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3,(H,10,11)/p-1.
What are the key properties of 1-(sulfinatoamino)ethylcyclohexane?
1-(sulfinatoamino)ethylcyclohexane has a molecular weight of 190.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)ethylcyclohexane is sourced from PubChem (CID 57082838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).