N-(3-ethylphenyl)-2-methylthiolan-3-amine

C13H19NS — CID 102671024

IUPACN-(3-ethylphenyl)-2-methylthiolan-3-amine
SMILESCCc1cccc(NC2CCSC2C)c1
InChIInChI=1S/C13H19NS/c1-3-11-5-4-6-12(9-11)14-13-7-8-15-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyHCYXTMNUEGSHGS-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.55
Rot. Bonds3

About N-(3-ethylphenyl)-2-methylthiolan-3-amine

N-(3-ethylphenyl)-2-methylthiolan-3-amine (PubChem CID 102671024) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-methylthiolan-3-amine
PubChem CID102671024
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(3-ethylphenyl)-2-methylthiolan-3-amine
SMILESCCc1cccc(NC2CCSC2C)c1
InChIInChI=1S/C13H19NS/c1-3-11-5-4-6-12(9-11)14-13-7-8-15-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyHCYXTMNUEGSHGS-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylphenyl)-2-methylthiolan-3-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

N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
2-methyl-N-(3-methylphenyl)thiolan-3-amine
CID 102671005
[3-[(2-methylthian-3-yl)amino]phenyl]methanol
CID 79957294
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165
4-(3-ethylanilino)oxolan-3-ol
CID 60902246
N-cyclohexyl-3-ethylaniline
CID 11009024
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]thiolan-3-amine
CID 102671179
N-(3-ethylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187098
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
2-methyl-N-(2-propylphenyl)thiolan-3-amine
CID 102670993

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-methylthiolan-3-amine?
The IUPAC name of N-(3-ethylphenyl)-2-methylthiolan-3-amine (CID 102671024) is N-(3-ethylphenyl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(3-ethylphenyl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(3-ethylphenyl)-2-methylthiolan-3-amine is CCc1cccc(NC2CCSC2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-methylthiolan-3-amine?
The InChIKey is HCYXTMNUEGSHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-11-5-4-6-12(9-11)14-13-7-8-15-10(13)2/h4-6,9-10,13-14H,3,7-8H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)-2-methylthiolan-3-amine?
N-(3-ethylphenyl)-2-methylthiolan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-methylthiolan-3-amine is sourced from PubChem (CID 102671024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).