1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine

C16H27NS — CID 66086046

IUPAC1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
SMILESCCCCC(CSc1cccc(C)c1)NCCC
InChIInChI=1S/C16H27NS/c1-4-6-9-15(17-11-5-2)13-18-16-10-7-8-14(3)12-16/h7-8,10,12,15,17H,4-6,9,11,13H2,1-3H3
InChIKeyLLOGLJLYRJUANO-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.65
Rot. Bonds9

About 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine

1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine (PubChem CID 66086046) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
PubChem CID66086046
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
SMILESCCCCC(CSc1cccc(C)c1)NCCC
InChIInChI=1S/C16H27NS/c1-4-6-9-15(17-11-5-2)13-18-16-10-7-8-14(3)12-16/h7-8,10,12,15,17H,4-6,9,11,13H2,1-3H3
InChIKeyLLOGLJLYRJUANO-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-(3-bromophenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66159440
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine?
The IUPAC name of 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine (CID 66086046) is 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine is CCCCC(CSc1cccc(C)c1)NCCC.
What is the InChIKey of 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine?
The InChIKey is LLOGLJLYRJUANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-6-9-15(17-11-5-2)13-18-16-10-7-8-14(3)12-16/h7-8,10,12,15,17H,4-6,9,11,13H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine?
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine is sourced from PubChem (CID 66086046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).