N-(3-propan-2-ylphenyl)thiolan-3-amine

C13H19NS — CID 43204585

IUPACN-(3-propan-2-ylphenyl)thiolan-3-amine
SMILESCC(C)c1cccc(NC2CCSC2)c1
InChIInChI=1S/C13H19NS/c1-10(2)11-4-3-5-12(8-11)14-13-6-7-15-9-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyKTZOYSHKRPFJTN-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.73
Rot. Bonds3

About N-(3-propan-2-ylphenyl)thiolan-3-amine

N-(3-propan-2-ylphenyl)thiolan-3-amine (PubChem CID 43204585) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)thiolan-3-amine
PubChem CID43204585
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(3-propan-2-ylphenyl)thiolan-3-amine
SMILESCC(C)c1cccc(NC2CCSC2)c1
InChIInChI=1S/C13H19NS/c1-10(2)11-4-3-5-12(8-11)14-13-6-7-15-9-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3
InChIKeyKTZOYSHKRPFJTN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-propan-2-ylphenyl)thiolan-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-fluorophenyl)thiolan-3-amine
CID 43194212
3-propan-2-yl-N-(thiolan-3-ylmethyl)aniline
CID 107131296
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3-propan-2-ylphenyl)oxepan-4-amine
CID 65076670
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
CID 63421494
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)thiolan-3-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)thiolan-3-amine (CID 43204585) is N-(3-propan-2-ylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)thiolan-3-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)thiolan-3-amine is CC(C)c1cccc(NC2CCSC2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)thiolan-3-amine?
The InChIKey is KTZOYSHKRPFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10(2)11-4-3-5-12(8-11)14-13-6-7-15-9-13/h3-5,8,10,13-14H,6-7,9H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)thiolan-3-amine?
N-(3-propan-2-ylphenyl)thiolan-3-amine has a molecular weight of 221.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)thiolan-3-amine is sourced from PubChem (CID 43204585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).