1-(thian-2-yl)hex-5-en-1-amine

C11H21NS — CID 80626354

IUPAC1-(thian-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h2,10-11H,1,3-9,12H2
InChIKeyZREKSMWVVCHTRM-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.96
Rot. Bonds5

About 1-(thian-2-yl)hex-5-en-1-amine

1-(thian-2-yl)hex-5-en-1-amine (PubChem CID 80626354) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 1-(thian-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(thian-2-yl)hex-5-en-1-amine
PubChem CID80626354
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name1-(thian-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCCS1
InChIInChI=1S/C11H21NS/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h2,10-11H,1,3-9,12H2
InChIKeyZREKSMWVVCHTRM-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-yl)hex-5-en-1-amine?
The IUPAC name of 1-(thian-2-yl)hex-5-en-1-amine (CID 80626354) is 1-(thian-2-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(thian-2-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(thian-2-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCCCS1.
What is the InChIKey of 1-(thian-2-yl)hex-5-en-1-amine?
The InChIKey is ZREKSMWVVCHTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-3-4-7-10(12)11-8-5-6-9-13-11/h2,10-11H,1,3-9,12H2.
What are the key properties of 1-(thian-2-yl)hex-5-en-1-amine?
1-(thian-2-yl)hex-5-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 80626354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).