N-methyl-2-methylsulfanylcyclohex-3-en-1-amine

C8H15NS — CID 138552861

IUPACN-methyl-2-methylsulfanylcyclohex-3-en-1-amine
SMILESCNC1CCC=CC1SC
InChIInChI=1S/C8H15NS/c1-9-7-5-3-4-6-8(7)10-2/h4,6-9H,3,5H2,1-2H3
InChIKeyVHDDYGIDXXNRHA-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds2

About N-methyl-2-methylsulfanylcyclohex-3-en-1-amine

N-methyl-2-methylsulfanylcyclohex-3-en-1-amine (PubChem CID 138552861) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylcyclohex-3-en-1-amine
PubChem CID138552861
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-methyl-2-methylsulfanylcyclohex-3-en-1-amine
SMILESCNC1CCC=CC1SC
InChIInChI=1S/C8H15NS/c1-9-7-5-3-4-6-8(7)10-2/h4,6-9H,3,5H2,1-2H3
InChIKeyVHDDYGIDXXNRHA-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylcyclohex-3-en-1-amine?
The IUPAC name of N-methyl-2-methylsulfanylcyclohex-3-en-1-amine (CID 138552861) is N-methyl-2-methylsulfanylcyclohex-3-en-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfanylcyclohex-3-en-1-amine?
The canonical SMILES for N-methyl-2-methylsulfanylcyclohex-3-en-1-amine is CNC1CCC=CC1SC.
What is the InChIKey of N-methyl-2-methylsulfanylcyclohex-3-en-1-amine?
The InChIKey is VHDDYGIDXXNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-7-5-3-4-6-8(7)10-2/h4,6-9H,3,5H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylcyclohex-3-en-1-amine?
N-methyl-2-methylsulfanylcyclohex-3-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylcyclohex-3-en-1-amine is sourced from PubChem (CID 138552861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).