6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine

C11H14ClNS — CID 43538840

IUPAC6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-2-13-10-5-6-14-11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyRGEPXSUIWOXHGP-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.49
Rot. Bonds2

About 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43538840) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43538840
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-2-13-10-5-6-14-11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyRGEPXSUIWOXHGP-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-ethyl-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

6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
6-chloro-N-[(1-ethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114099597
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114107670
1-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-ethylpentan-2-ol
CID 103783037
6-chloro-N-(thian-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115719910
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488
4-chloro-2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol
CID 43723360
6-chloro-N-[(2,4-dimethylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232503
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 83108033
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105744

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43538840) is 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine is CCNC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is RGEPXSUIWOXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-2-13-10-5-6-14-11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3.
What are the key properties of 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 227.76 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43538840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).