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

C7H13NS — CID 89098961

IUPAC1-(2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCCC(N)C1CC=CS1
InChIInChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h3,5-7H,2,4,8H2,1H3
InChIKeyRQLRUUKIPYJJJI-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.74
Rot. Bonds2

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

1-(2,3-dihydrothiophen-2-yl)propan-1-amine (PubChem CID 89098961) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-2-yl)propan-1-amine
PubChem CID89098961
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(2,3-dihydrothiophen-2-yl)propan-1-amine
SMILESCCC(N)C1CC=CS1
InChIInChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h3,5-7H,2,4,8H2,1H3
InChIKeyRQLRUUKIPYJJJI-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.74
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)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrothiophen-2-yl)propan-1-amine (CID 89098961) is 1-(2,3-dihydrothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrothiophen-2-yl)propan-1-amine is CCC(N)C1CC=CS1.
What is the InChIKey of 1-(2,3-dihydrothiophen-2-yl)propan-1-amine?
The InChIKey is RQLRUUKIPYJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-2-6(8)7-4-3-5-9-7/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 1-(2,3-dihydrothiophen-2-yl)propan-1-amine?
1-(2,3-dihydrothiophen-2-yl)propan-1-amine has a molecular weight of 143.25 g/mol, XLogP of 1.74, 2 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)propan-1-amine is sourced from PubChem (CID 89098961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).