N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C17H23NS3 — CID 81266374

IUPACN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCSC2)c1sc(C)cc1C
InChIInChI=1S/C17H23NS3/c1-4-6-18-16(17-11(2)8-12(3)20-17)15-9-13-10-19-7-5-14(13)21-15/h8-9,16,18H,4-7,10H2,1-3H3
InChIKeyITOHHCFXUNYHKF-UHFFFAOYSA-N
MW337.58 g/mol
LogP5.30
Rot. Bonds5

About N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 81266374) has the molecular formula C17H23NS3 and a molecular weight of 337.58 g/mol. Its IUPAC name is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID81266374
Molecular FormulaC17H23NS3
Molecular Weight337.58 g/mol
Exact Mass337.10
IUPAC NameN-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(s1)CCSC2)c1sc(C)cc1C
InChIInChI=1S/C17H23NS3/c1-4-6-18-16(17-11(2)8-12(3)20-17)15-9-13-10-19-7-5-14(13)21-15/h8-9,16,18H,4-7,10H2,1-3H3
InChIKeyITOHHCFXUNYHKF-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 115827429
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-propylbut-3-en-1-amine
CID 115814726
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992831
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023233
N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81261896
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024149
2-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261502

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 81266374) is N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cc2c(s1)CCSC2)c1sc(C)cc1C.
What is the InChIKey of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is ITOHHCFXUNYHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS3/c1-4-6-18-16(17-11(2)8-12(3)20-17)15-9-13-10-19-7-5-14(13)21-15/h8-9,16,18H,4-7,10H2,1-3H3.
What are the key properties of N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 337.58 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).