2-(2,3-dihydrothiophen-4-yl)butan-2-amine

C8H15NS — CID 89012803

IUPAC2-(2,3-dihydrothiophen-4-yl)butan-2-amine
SMILESCCC(C)(N)C1=CSCC1
InChIInChI=1S/C8H15NS/c1-3-8(2,9)7-4-5-10-6-7/h6H,3-5,9H2,1-2H3
InChIKeyDWPBQAFOYMUHTR-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,3-dihydrothiophen-4-yl)butan-2-amine

2-(2,3-dihydrothiophen-4-yl)butan-2-amine (PubChem CID 89012803) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-4-yl)butan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-4-yl)butan-2-amine
PubChem CID89012803
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(2,3-dihydrothiophen-4-yl)butan-2-amine
SMILESCCC(C)(N)C1=CSCC1
InChIInChI=1S/C8H15NS/c1-3-8(2,9)7-4-5-10-6-7/h6H,3-5,9H2,1-2H3
InChIKeyDWPBQAFOYMUHTR-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-4-yl)butan-2-amine?
The IUPAC name of 2-(2,3-dihydrothiophen-4-yl)butan-2-amine (CID 89012803) is 2-(2,3-dihydrothiophen-4-yl)butan-2-amine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-4-yl)butan-2-amine?
The canonical SMILES for 2-(2,3-dihydrothiophen-4-yl)butan-2-amine is CCC(C)(N)C1=CSCC1.
What is the InChIKey of 2-(2,3-dihydrothiophen-4-yl)butan-2-amine?
The InChIKey is DWPBQAFOYMUHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-8(2,9)7-4-5-10-6-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothiophen-4-yl)butan-2-amine?
2-(2,3-dihydrothiophen-4-yl)butan-2-amine has a molecular weight of 157.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-4-yl)butan-2-amine is sourced from PubChem (CID 89012803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).