2,3-dihydrothiophen-3-amine

C4H7NS — CID 45116607

IUPAC2,3-dihydrothiophen-3-amine
SMILESNC1C=CSC1
InChIInChI=1S/C4H7NS/c5-4-1-2-6-3-4/h1-2,4H,3,5H2
InChIKeyZFLRYLSBJWHUGP-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.57
Rot. Bonds

About 2,3-dihydrothiophen-3-amine

2,3-dihydrothiophen-3-amine (PubChem CID 45116607) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name2,3-dihydrothiophen-3-amine
PubChem CID45116607
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name2,3-dihydrothiophen-3-amine
SMILESNC1C=CSC1
InChIInChI=1S/C4H7NS/c5-4-1-2-6-3-4/h1-2,4H,3,5H2
InChIKeyZFLRYLSBJWHUGP-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiophen-3-amine?
The IUPAC name of 2,3-dihydrothiophen-3-amine (CID 45116607) is 2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 2,3-dihydrothiophen-3-amine?
The canonical SMILES for 2,3-dihydrothiophen-3-amine is NC1C=CSC1.
What is the InChIKey of 2,3-dihydrothiophen-3-amine?
The InChIKey is ZFLRYLSBJWHUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c5-4-1-2-6-3-4/h1-2,4H,3,5H2.
What are the key properties of 2,3-dihydrothiophen-3-amine?
2,3-dihydrothiophen-3-amine has a molecular weight of 101.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 45116607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).