8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

C13H16ClNS — CID 43538869

IUPAC8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(NC2CC2)c2cccc(Cl)c2S1
InChIInChI=1S/C13H16ClNS/c1-8-7-12(15-9-5-6-9)10-3-2-4-11(14)13(10)16-8/h2-4,8-9,12,15H,5-7H2,1H3
InChIKeyAGOUWJQLPUJPND-UHFFFAOYSA-N
MW253.80 g/mol
LogP4.02
Rot. Bonds2

About 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine

8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43538869) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43538869
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC1CC(NC2CC2)c2cccc(Cl)c2S1
InChIInChI=1S/C13H16ClNS/c1-8-7-12(15-9-5-6-9)10-3-2-4-11(14)13(10)16-8/h2-4,8-9,12,15H,5-7H2,1H3
InChIKeyAGOUWJQLPUJPND-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-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

9-chloro-N-cyclopropyl-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43538862
N-cyclopropyl-2,6,8-trimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539210
N-cyclopropyl-7-fluoro-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 102972209
5,8-dichloro-N,2-dimethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539036
(6S)-N-cyclohexyl-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81300957
N-(3,4-dimethylcyclohexyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 64739918
8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537229
7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine
CID 43539443
N-[3-(2-chlorophenyl)cyclobutyl]thian-4-amine
CID 115646636
N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 53408548
1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
CID 81297023
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43538869) is 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is CC1CC(NC2CC2)c2cccc(Cl)c2S1.
What is the InChIKey of 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is AGOUWJQLPUJPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS/c1-8-7-12(15-9-5-6-9)10-3-2-4-11(14)13(10)16-8/h2-4,8-9,12,15H,5-7H2,1H3.
What are the key properties of 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine?
8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 253.80 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43538869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).