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

C12H16ClNS — CID 43538839

IUPAC6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNS/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyIVMGJDQLDAAGNU-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.88
Rot. Bonds3

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

6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43538839) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43538839
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCCNC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClNS/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyIVMGJDQLDAAGNU-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63464061
6-chloro-N-(3-cyclopentylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106008850
6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232508
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-diethylpropanamide
CID 60925842
6-chloro-N-[(1-ethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114099597
6-chloro-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43771391
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115709094
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114107670

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine (CID 43538839) is 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is CCCNC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is IVMGJDQLDAAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c1-2-6-14-11-5-7-15-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3.
What are the key properties of 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 241.79 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43538839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).