5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine

C10H19NOS — CID 130791837

IUPAC5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine
SMILESCC1CC(CCS(C)=O)=CC(N)C1
InChIInChI=1S/C10H19NOS/c1-8-5-9(3-4-13(2)12)7-10(11)6-8/h7-8,10H,3-6,11H2,1-2H3
InChIKeyILCPMHFPIHDNBN-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.44
Rot. Bonds3

About 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine

5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine (PubChem CID 130791837) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine
PubChem CID130791837
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine
SMILESCC1CC(CCS(C)=O)=CC(N)C1
InChIInChI=1S/C10H19NOS/c1-8-5-9(3-4-13(2)12)7-10(11)6-8/h7-8,10H,3-6,11H2,1-2H3
InChIKeyILCPMHFPIHDNBN-UHFFFAOYSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.44
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

2,6-Dimethyl-3-(5-methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 71166149
Cyclopropyl-(5-ethylsulfinyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
CID 123714530
(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine
CID 155008146
1-(Cyclohexen-1-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 64019107
1-(Cyclohexen-1-yl)-2-methylsulfonylethanamine
CID 64019108
Cyclopenten-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64903915
Cyclohexen-1-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 64907046
3-(3-Methylsulfonylpropyl)cyclohex-2-en-1-amine
CID 65171650
3-(3-Ethylsulfonylpropyl)cyclohex-2-en-1-amine
CID 65172047
3-(2-Methylsulfonylethyl)cyclohex-2-en-1-amine
CID 65172106
3-(3-Methylsulfonylpropyl)cyclopent-2-en-1-amine
CID 65174817
5,5-Dimethyl-3-(3-methylsulfonylpropyl)cyclohex-2-en-1-amine
CID 65176918

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine?
The IUPAC name of 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine (CID 130791837) is 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine is CC1CC(CCS(C)=O)=CC(N)C1.
What is the InChIKey of 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine?
The InChIKey is ILCPMHFPIHDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8-5-9(3-4-13(2)12)7-10(11)6-8/h7-8,10H,3-6,11H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine?
5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylsulfinylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 130791837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).