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

C18H23NS2 — CID 115481997

IUPAC(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc3c(s2)CCSC3)cc1CC
InChIInChI=1S/C18H23NS2/c1-3-12-5-6-14(9-13(12)4-2)18(19)17-10-15-11-20-8-7-16(15)21-17/h5-6,9-10,18H,3-4,7-8,11,19H2,1-2H3
InChIKeyIHCLAKANHHYOML-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.71
Rot. Bonds4

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

(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (PubChem CID 115481997) has the molecular formula C18H23NS2 and a molecular weight of 317.52 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
PubChem CID115481997
Molecular FormulaC18H23NS2
Molecular Weight317.52 g/mol
Exact Mass317.13
IUPAC Name(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc3c(s2)CCSC3)cc1CC
InChIInChI=1S/C18H23NS2/c1-3-12-5-6-14(9-13(12)4-2)18(19)17-10-15-11-20-8-7-16(15)21-17/h5-6,9-10,18H,3-4,7-8,11,19H2,1-2H3
InChIKeyIHCLAKANHHYOML-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.71
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-(3-ethylphenyl)methanamine
CID 105018676
2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 81266138
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81261981
2-[bromo-(4-ethylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260684
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-amine
CID 104994984
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
(2-chloro-4,5-dimethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115483657
(5-bromo-2-methylthiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 81260640
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842705

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The IUPAC name of (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (CID 115481997) is (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.
What is the SMILES notation for (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The canonical SMILES for (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is CCc1ccc(C(N)c2cc3c(s2)CCSC3)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The InChIKey is IHCLAKANHHYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS2/c1-3-12-5-6-14(9-13(12)4-2)18(19)17-10-15-11-20-8-7-16(15)21-17/h5-6,9-10,18H,3-4,7-8,11,19H2,1-2H3.
What are the key properties of (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine has a molecular weight of 317.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is sourced from PubChem (CID 115481997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).