(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine

C14H13ClFNS2 — CID 105022597

IUPAC(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCSC2)c1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNS2/c15-9-1-2-10(11(16)6-9)14(17)13-5-8-7-18-4-3-12(8)19-13/h1-2,5-6,14H,3-4,7,17H2
InChIKeyULNJTYPTKRERCG-UHFFFAOYSA-N
MW313.85 g/mol
LogP4.38
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine

(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (PubChem CID 105022597) has the molecular formula C14H13ClFNS2 and a molecular weight of 313.85 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
PubChem CID105022597
Molecular FormulaC14H13ClFNS2
Molecular Weight313.85 g/mol
Exact Mass313.02
IUPAC Name(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESNC(c1cc2c(s1)CCSC2)c1ccc(Cl)cc1F
InChIInChI=1S/C14H13ClFNS2/c15-9-1-2-10(11(16)6-9)14(17)13-5-8-7-18-4-3-12(8)19-13/h1-2,5-6,14H,3-4,7,17H2
InChIKeyULNJTYPTKRERCG-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
(2-chloro-4,5-dimethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115483657
(5-bromo-4-fluoro-2-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 103394321
(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105010695
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 81266138
1-(2-chloro-4,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 107476199
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
2-[chloro-(2,4,6-trifluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261326
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
[2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105295023

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (CID 105022597) is (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is NC(c1cc2c(s1)CCSC2)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The InChIKey is ULNJTYPTKRERCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS2/c15-9-1-2-10(11(16)6-9)14(17)13-5-8-7-18-4-3-12(8)19-13/h1-2,5-6,14H,3-4,7,17H2.
What are the key properties of (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine has a molecular weight of 313.85 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is sourced from PubChem (CID 105022597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).