1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

C14H21NS — CID 66066581

IUPAC1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C14H21NS/c1-11-3-7-14(8-4-11)16-10-13(15-2)9-12-5-6-12/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3
InChIKeyODLFCZUEFCYOJN-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds6

About 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66066581) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID66066581
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)CC1CC1
InChIInChI=1S/C14H21NS/c1-11-3-7-14(8-4-11)16-10-13(15-2)9-12-5-6-12/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3
InChIKeyODLFCZUEFCYOJN-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 66066581) is 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1ccc(C)cc1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is ODLFCZUEFCYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-3-7-14(8-4-11)16-10-13(15-2)9-12-5-6-12/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 235.40 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 1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66066581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).