N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine

C14H23NS — CID 106808414

IUPACN-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
SMILESCCC(CCCSc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-4-13(15-3)8-6-10-16-14-9-5-7-12(2)11-14/h5,7,9,11,13,15H,4,6,8,10H2,1-3H3
InChIKeyULJKRVGXAPCRMO-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds7

About N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine

N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine (PubChem CID 106808414) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
PubChem CID106808414
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine
SMILESCCC(CCCSc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-4-13(15-3)8-6-10-16-14-9-5-7-12(2)11-14/h5,7,9,11,13,15H,4,6,8,10H2,1-3H3
InChIKeyULJKRVGXAPCRMO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
5-methoxy-N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 114856059
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
4-(3-methylphenyl)sulfanyl-N-(2-methylpropyl)butan-1-amine
CID 55091999
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
2-(methylamino)-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63033091

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine?
The IUPAC name of N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine (CID 106808414) is N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine.
What is the SMILES notation for N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine?
The canonical SMILES for N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine is CCC(CCCSc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine?
The InChIKey is ULJKRVGXAPCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-13(15-3)8-6-10-16-14-9-5-7-12(2)11-14/h5,7,9,11,13,15H,4,6,8,10H2,1-3H3.
What are the key properties of N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine?
N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylphenyl)sulfanylhexan-3-amine is sourced from PubChem (CID 106808414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).