N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine

C12H16ClNOS — CID 79941779

IUPACN-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
SMILESCOc1ccc(Cl)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16ClNOS/c1-8-5-10(7-16-8)14-11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyLLVNEILNPXOIHM-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.65
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine

N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine (PubChem CID 79941779) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
PubChem CID79941779
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine
SMILESCOc1ccc(Cl)cc1NC1CSC(C)C1
InChIInChI=1S/C12H16ClNOS/c1-8-5-10(7-16-8)14-11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyLLVNEILNPXOIHM-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methoxyphenyl)-5-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-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942009
5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
N-(5-chloro-2-methoxyphenyl)thiolan-3-amine
CID 43193326
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiolan-3-amine
CID 79942240
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine (CID 79941779) is N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine is COc1ccc(Cl)cc1NC1CSC(C)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine?
The InChIKey is LLVNEILNPXOIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-8-5-10(7-16-8)14-11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine?
N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine has a molecular weight of 257.79 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79941779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).