ethane;2-hex-5-enylthiolan-3-amine

C12H25NS — CID 143949679

IUPACethane;2-hex-5-enylthiolan-3-amine
SMILESC=CCCCCC1SCCC1N.CC
InChIInChI=1S/C10H19NS.C2H6/c1-2-3-4-5-6-10-9(11)7-8-12-10;1-2/h2,9-10H,1,3-8,11H2;1-2H3
InChIKeyUVPZITBZOARGOS-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.59
Rot. Bonds5

About ethane;2-hex-5-enylthiolan-3-amine

ethane;2-hex-5-enylthiolan-3-amine (PubChem CID 143949679) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is ethane;2-hex-5-enylthiolan-3-amine.

Molecular Properties

Compound Nameethane;2-hex-5-enylthiolan-3-amine
PubChem CID143949679
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Nameethane;2-hex-5-enylthiolan-3-amine
SMILESC=CCCCCC1SCCC1N.CC
InChIInChI=1S/C10H19NS.C2H6/c1-2-3-4-5-6-10-9(11)7-8-12-10;1-2/h2,9-10H,1,3-8,11H2;1-2H3
InChIKeyUVPZITBZOARGOS-UHFFFAOYSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.59
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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Related Compounds

N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-Propyl-2,3-dihydrothiophen-3-amine
CID 57119299
3-Methylsulfanyloct-7-en-1-amine
CID 88230956
1-(2,3-Dihydrothiophen-2-yl)propan-1-amine
CID 89098961
(1S)-1-(2,3-dihydrothiophen-2-yl)propan-1-amine
CID 89098963
1-(2,3-Dihydrothiophen-2-yl)butan-1-amine
CID 89098969
(1R)-1-(2,3-dihydrothiophen-2-yl)propan-1-amine
CID 89205609
4-(5-Methylthiolan-2-yl)cyclohex-3-en-1-amine
CID 89386906
10-(3H-dithiol-3-yl)decan-5-amine
CID 175402210
3-Octyl-2,3-dihydro-1,2-thiazole
CID 175870093
1-Methylsulfanylhept-6-en-2-amine
CID 64299380
1-Ethylsulfanylhept-6-en-2-amine
CID 65127696

Frequently Asked Questions

What is the IUPAC name of ethane;2-hex-5-enylthiolan-3-amine?
The IUPAC name of ethane;2-hex-5-enylthiolan-3-amine (CID 143949679) is ethane;2-hex-5-enylthiolan-3-amine.
What is the SMILES notation for ethane;2-hex-5-enylthiolan-3-amine?
The canonical SMILES for ethane;2-hex-5-enylthiolan-3-amine is C=CCCCCC1SCCC1N.CC.
What is the InChIKey of ethane;2-hex-5-enylthiolan-3-amine?
The InChIKey is UVPZITBZOARGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.C2H6/c1-2-3-4-5-6-10-9(11)7-8-12-10;1-2/h2,9-10H,1,3-8,11H2;1-2H3.
What are the key properties of ethane;2-hex-5-enylthiolan-3-amine?
ethane;2-hex-5-enylthiolan-3-amine has a molecular weight of 215.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hex-5-enylthiolan-3-amine is sourced from PubChem (CID 143949679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).