2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine

C16H19ClN2S2 — CID 115984985

IUPAC2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H19ClN2S2/c1-2-19-14(7-11-3-5-18-9-13(11)17)16-8-12-10-20-6-4-15(12)21-16/h3,5,8-9,14,19H,2,4,6-7,10H2,1H3
InChIKeySXUQYJCXPOYZAY-UHFFFAOYSA-N
MW338.93 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine

2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine (PubChem CID 115984985) has the molecular formula C16H19ClN2S2 and a molecular weight of 338.93 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
PubChem CID115984985
Molecular FormulaC16H19ClN2S2
Molecular Weight338.93 g/mol
Exact Mass338.07
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H19ClN2S2/c1-2-19-14(7-11-3-5-18-9-13(11)17)16-8-12-10-20-6-4-15(12)21-16/h3,5,8-9,14,19H,2,4,6-7,10H2,1H3
InChIKeySXUQYJCXPOYZAY-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine
CID 81266579
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842705
N-[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034645
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 81266726
2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 115839950
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
[2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105295023
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997944
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023
2-(2,5-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 115863301
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861137
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine (CID 115984985) is 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine is CCNC(Cc1ccncc1Cl)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine?
The InChIKey is SXUQYJCXPOYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S2/c1-2-19-14(7-11-3-5-18-9-13(11)17)16-8-12-10-20-6-4-15(12)21-16/h3,5,8-9,14,19H,2,4,6-7,10H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine?
2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine has a molecular weight of 338.93 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 115984985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).