(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine

C10H15NS — CID 171231341

IUPAC(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(CC)s1
InChIInChI=1S/C10H15NS/c1-3-5-9(11)10-7-6-8(4-2)12-10/h3,6-7,9H,1,4-5,11H2,2H3/t9-/m0/s1
InChIKeyICOJSDQIOWSNJH-VIFPVBQESA-N
MW181.30 g/mol
LogP2.89
Rot. Bonds4

About (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine

(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine (PubChem CID 171231341) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
PubChem CID171231341
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(CC)s1
InChIInChI=1S/C10H15NS/c1-3-5-9(11)10-7-6-8(4-2)12-10/h3,6-7,9H,1,4-5,11H2,2H3/t9-/m0/s1
InChIKeyICOJSDQIOWSNJH-VIFPVBQESA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(5-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171202347
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine (CID 171231341) is (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine is C=CC[C@H](N)c1ccc(CC)s1.
What is the InChIKey of (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine?
The InChIKey is ICOJSDQIOWSNJH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NS/c1-3-5-9(11)10-7-6-8(4-2)12-10/h3,6-7,9H,1,4-5,11H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine?
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine is sourced from PubChem (CID 171231341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).