N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine

C13H21NS — CID 64626090

IUPACN-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCCCC(CSc1cccc(C)c1)NC
InChIInChI=1S/C13H21NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3
InChIKeyJTBWALCKWQTTRO-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.48
Rot. Bonds6

About N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine

N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine (PubChem CID 64626090) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
PubChem CID64626090
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
SMILESCCCC(CSc1cccc(C)c1)NC
InChIInChI=1S/C13H21NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3
InChIKeyJTBWALCKWQTTRO-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 114856059
N-methyl-1-(3-methylphenyl)sulfanylpent-4-en-2-amine
CID 66088350
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
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)sulfanylbutan-2-amine
CID 64626488
N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
CID 106808414
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
1-(3,4-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087965
1-(3,4-difluorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64614516
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine (CID 64626090) is N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine is CCCC(CSc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is JTBWALCKWQTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-6-12(14-3)10-15-13-8-5-7-11(2)9-13/h5,7-9,12,14H,4,6,10H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine?
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 223.39 g/mol, XLogP of 3.48, 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)sulfanylpentan-2-amine is sourced from PubChem (CID 64626090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).