1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine

C13H17NS2 — CID 105033893

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H17NS2/c1-2-3-4-5-11(14)13-8-10-9-15-7-6-12(10)16-13/h1,8,11H,3-7,9,14H2
InChIKeyUHBVXGZYAUQIQG-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.34
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine (PubChem CID 105033893) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
PubChem CID105033893
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H17NS2/c1-2-3-4-5-11(14)13-8-10-9-15-7-6-12(10)16-13/h1,8,11H,3-7,9,14H2
InChIKeyUHBVXGZYAUQIQG-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-yn-1-amine
CID 105033706
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
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019776
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
2-(4-bromo-2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105037851
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115481997
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)nonylhydrazine
CID 105294340
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylheptan-1-ol
CID 114981391

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine (CID 105033893) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine is C#CCCCC(N)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine?
The InChIKey is UHBVXGZYAUQIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-2-3-4-5-11(14)13-8-10-9-15-7-6-12(10)16-13/h1,8,11H,3-7,9,14H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105033893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).