2,3-dihydrothiophen-2-amine

C4H7NS — CID 18974942

IUPAC2,3-dihydrothiophen-2-amine
SMILESNC1CC=CS1
InChIInChI=1S/C4H7NS/c5-4-2-1-3-6-4/h1,3-4H,2,5H2
InChIKeyDOPROHTZKDRGFX-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.92
Rot. Bonds

About 2,3-dihydrothiophen-2-amine

2,3-dihydrothiophen-2-amine (PubChem CID 18974942) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name2,3-dihydrothiophen-2-amine
PubChem CID18974942
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name2,3-dihydrothiophen-2-amine
SMILESNC1CC=CS1
InChIInChI=1S/C4H7NS/c5-4-2-1-3-6-4/h1,3-4H,2,5H2
InChIKeyDOPROHTZKDRGFX-UHFFFAOYSA-N
XLogP0.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-2-amine?
The IUPAC name of 2,3-dihydrothiophen-2-amine (CID 18974942) is 2,3-dihydrothiophen-2-amine.
What is the SMILES notation for 2,3-dihydrothiophen-2-amine?
The canonical SMILES for 2,3-dihydrothiophen-2-amine is NC1CC=CS1.
What is the InChIKey of 2,3-dihydrothiophen-2-amine?
The InChIKey is DOPROHTZKDRGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c5-4-2-1-3-6-4/h1,3-4H,2,5H2.
What are the key properties of 2,3-dihydrothiophen-2-amine?
2,3-dihydrothiophen-2-amine has a molecular weight of 101.17 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 18974942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).