1-(2,3-dihydrothiophen-2-yl)butan-1-amine

C8H15NS — CID 89098969

IUPAC1-(2,3-dihydrothiophen-2-yl)butan-1-amine
SMILESCCCC(N)C1CC=CS1
InChIInChI=1S/C8H15NS/c1-2-4-7(9)8-5-3-6-10-8/h3,6-8H,2,4-5,9H2,1H3
InChIKeyKFSDBGGPCAUFBF-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.13
Rot. Bonds3

About 1-(2,3-dihydrothiophen-2-yl)butan-1-amine

1-(2,3-dihydrothiophen-2-yl)butan-1-amine (PubChem CID 89098969) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)butan-1-amine
PubChem CID89098969
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-(2,3-dihydrothiophen-2-yl)butan-1-amine
SMILESCCCC(N)C1CC=CS1
InChIInChI=1S/C8H15NS/c1-2-4-7(9)8-5-3-6-10-8/h3,6-8H,2,4-5,9H2,1H3
InChIKeyKFSDBGGPCAUFBF-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(2,3-dihydrothiophen-2-yl)butan-1-amine?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)butan-1-amine (CID 89098969) is 1-(2,3-dihydrothiophen-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)butan-1-amine?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)butan-1-amine is CCCC(N)C1CC=CS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)butan-1-amine?
The InChIKey is KFSDBGGPCAUFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-4-7(9)8-5-3-6-10-8/h3,6-8H,2,4-5,9H2,1H3.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)butan-1-amine?
1-(2,3-dihydrothiophen-2-yl)butan-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-2-yl)butan-1-amine is sourced from PubChem (CID 89098969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).