N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline

C13H19NOS — CID 104695196

IUPACN-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline
SMILESCC(Nc1ccccc1CS(C)=O)C1CC1
InChIInChI=1S/C13H19NOS/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-16(2)15/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyHEQLUIAJKWVXLL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.78
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline

N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline (PubChem CID 104695196) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline
PubChem CID104695196
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline
SMILESCC(Nc1ccccc1CS(C)=O)C1CC1
InChIInChI=1S/C13H19NOS/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-16(2)15/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyHEQLUIAJKWVXLL-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline 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

3-Thiophenamine, tetrahydro-N-(4-methylphenyl)-, 1,1-dioxide
CID 2818402
1,2,3,5-Tetrahydro-4,1-benzothiazepine
CID 13270248
N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2997953
N-(1,1-dioxido-2,3-dihydrothien-3-yl)-N-[3-(trifluoromethyl)phenyl]amine
CID 2886335
4,1-Benzothiazepine, 1,2,3,5-tetrahydro-, 4,4-dioxide
CID 18378663
3-(p-Tolylamino)-2,3-dihydrothiophene 1,1-dioxide
CID 2818403
N-(3-cyclopentylpropyl)-2-methyl-3-(methylsulfonylmethyl)aniline
CID 71855531
N-(cyclohexylmethyl)-2-methyl-3-(methylsulfonylmethyl)aniline
CID 71862434
2-fluoro-5-methyl-N-(2-methyl-2-methylsulfonylpropyl)aniline
CID 84595335
N-(2,3-dimethylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2948639
3-((4-Isopropylphenyl)amino)-2,3-dihydrothiophene 1,1-dioxide
CID 2976082
3-Thiophenamine, tetrahydro-N-(3-methylphenyl)-, 1,1-dioxide
CID 3146697

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline (CID 104695196) is N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline is CC(Nc1ccccc1CS(C)=O)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline?
The InChIKey is HEQLUIAJKWVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-16(2)15/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline?
N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline has a molecular weight of 237.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline is sourced from PubChem (CID 104695196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).