N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine

C13H19NS — CID 66088350

IUPACN-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1cccc(C)c1)NC
InChIInChI=1S/C13H19NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h4-5,7-9,12,14H,1,6,10H2,2-3H3
InChIKeyNCPZJCRKEUNANP-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine

N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine (PubChem CID 66088350) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
PubChem CID66088350
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1cccc(C)c1)NC
InChIInChI=1S/C13H19NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h4-5,7-9,12,14H,1,6,10H2,2-3H3
InChIKeyNCPZJCRKEUNANP-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.25
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

N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 114856059
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105237093
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-(3-fluorophenyl)sulfanyl-N-methylnon-8-en-2-amine
CID 107009283

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine (CID 66088350) is N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine is C=CCC(CSc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine?
The InChIKey is NCPZJCRKEUNANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h4-5,7-9,12,14H,1,6,10H2,2-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine?
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine has a molecular weight of 221.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine is sourced from PubChem (CID 66088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).