2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine

C13H19NOS — CID 115716812

IUPAC2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(S(C)=O)cc1
InChIInChI=1S/C13H19NOS/c1-9-8-13(9)14-10(2)11-4-6-12(7-5-11)16(3)15/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyYLRWLWPFPJLPDN-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine

2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 115716812) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine
PubChem CID115716812
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(S(C)=O)cc1
InChIInChI=1S/C13H19NOS/c1-9-8-13(9)14-10(2)11-4-6-12(7-5-11)16(3)15/h4-7,9-10,13-14H,8H2,1-3H3
InChIKeyYLRWLWPFPJLPDN-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
CID 95757276
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
(1R)-1-cyclobutyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]ethanamine
CID 98870236
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62396524
N-ethyl-3-[1-(4-methylsulfinylphenyl)ethylamino]pyrrolidine-1-carboxamide
CID 75471423
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64762405
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
(1S)-1-[4-[(R)-methylsulfinyl]phenyl]-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]ethanamine
CID 97107980
N-[1-(2-chloro-4-pyridinyl)ethyl]-2-methylcyclopropan-1-amine
CID 115716810
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
2-methyl-N-[1-(5-methylthiophen-3-yl)ethyl]cyclopropan-1-amine
CID 130991690
cyclopropyl-(4-methylsulfinylphenyl)methanol
CID 123697459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine (CID 115716812) is 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine is CC(NC1CC1C)c1ccc(S(C)=O)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is YLRWLWPFPJLPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-8-13(9)14-10(2)11-4-6-12(7-5-11)16(3)15/h4-7,9-10,13-14H,8H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine?
2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 115716812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).