3-cyclohex-3-en-1-ylsulfinylpropan-1-amine

C9H17NOS — CID 58684850

IUPAC3-cyclohex-3-en-1-ylsulfinylpropan-1-amine
SMILESNCCCS(=O)C1CC=CCC1
InChIInChI=1S/C9H17NOS/c10-7-4-8-12(11)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2
InChIKeyMBKZNSVYBGPECY-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.19
Rot. Bonds4

About 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine

3-cyclohex-3-en-1-ylsulfinylpropan-1-amine (PubChem CID 58684850) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohex-3-en-1-ylsulfinylpropan-1-amine
PubChem CID58684850
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name3-cyclohex-3-en-1-ylsulfinylpropan-1-amine
SMILESNCCCS(=O)C1CC=CCC1
InChIInChI=1S/C9H17NOS/c10-7-4-8-12(11)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2
InChIKeyMBKZNSVYBGPECY-UHFFFAOYSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohex-2-en-1-ylsulfinylpropan-1-amine
CID 58684902
3-(oxan-3-ylsulfinyl)propan-1-amine
CID 107138204
2-cyclopropylsulfinylethanamine
CID 58684877
3-(3-ethylcyclohexyl)sulfinylpropan-1-amine
CID 81187568
2-cyclohex-3-en-1-ylsulfonylethanamine
CID 58684735
2-cyclopentylsulfinylethanamine
CID 58684642
3-(2-methyloxolan-3-yl)sulfinylpropan-1-amine
CID 58684813
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
cyclopent-3-ene-1-sulfinic acid
CID 118658589
3-cyclopent-3-en-1-ylsulfonylpropan-1-amine
CID 58685026
(2E)-2-(2-aminoethyl)-1-cyclohex-3-en-1-ylpenta-2,4-dien-1-one
CID 122535894
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488

Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine?
The IUPAC name of 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine (CID 58684850) is 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine.
What is the SMILES notation for 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine?
The canonical SMILES for 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine is NCCCS(=O)C1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine?
The InChIKey is MBKZNSVYBGPECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c10-7-4-8-12(11)9-5-2-1-3-6-9/h1-2,9H,3-8,10H2.
What are the key properties of 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine?
3-cyclohex-3-en-1-ylsulfinylpropan-1-amine has a molecular weight of 187.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-ylsulfinylpropan-1-amine is sourced from PubChem (CID 58684850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).