2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine

C15H16ClNS2 — CID 81261999

IUPAC2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H16ClNS2/c16-12-3-1-2-10(6-12)7-13(17)15-8-11-9-18-5-4-14(11)19-15/h1-3,6,8,13H,4-5,7,9,17H2
InChIKeyWIZMWHPWBZERJE-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine

2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine (PubChem CID 81261999) has the molecular formula C15H16ClNS2 and a molecular weight of 309.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
PubChem CID81261999
Molecular FormulaC15H16ClNS2
Molecular Weight309.89 g/mol
Exact Mass309.04
IUPAC Name2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
SMILESNC(Cc1cccc(Cl)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H16ClNS2/c16-12-3-1-2-10(6-12)7-13(17)15-8-11-9-18-5-4-14(11)19-15/h1-3,6,8,13H,4-5,7,9,17H2
InChIKeyWIZMWHPWBZERJE-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105022597
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019776
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
CID 105018676
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
[2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105295023
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
CID 104994984

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine (CID 81261999) is 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine is NC(Cc1cccc(Cl)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
The InChIKey is WIZMWHPWBZERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS2/c16-12-3-1-2-10(6-12)7-13(17)15-8-11-9-18-5-4-14(11)19-15/h1-3,6,8,13H,4-5,7,9,17H2.
What are the key properties of 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine?
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine has a molecular weight of 309.89 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine is sourced from PubChem (CID 81261999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).