2-(aminomethyl)-2,3-dihydrothiophen-5-amine

C5H10N2S — CID 70297679

IUPAC2-(aminomethyl)-2,3-dihydrothiophen-5-amine
SMILESNCC1CC=C(N)S1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(7)8-4/h2,4H,1,3,6-7H2
InChIKeyXVEZTBOUCITRKN-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.25
Rot. Bonds1

About 2-(aminomethyl)-2,3-dihydrothiophen-5-amine

2-(aminomethyl)-2,3-dihydrothiophen-5-amine (PubChem CID 70297679) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-(aminomethyl)-2,3-dihydrothiophen-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-2,3-dihydrothiophen-5-amine
PubChem CID70297679
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name2-(aminomethyl)-2,3-dihydrothiophen-5-amine
SMILESNCC1CC=C(N)S1
InChIInChI=1S/C5H10N2S/c6-3-4-1-2-5(7)8-4/h2,4H,1,3,6-7H2
InChIKeyXVEZTBOUCITRKN-UHFFFAOYSA-N
XLogP0.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2,3-dihydrothiophen-5-amine?
The IUPAC name of 2-(aminomethyl)-2,3-dihydrothiophen-5-amine (CID 70297679) is 2-(aminomethyl)-2,3-dihydrothiophen-5-amine.
What is the SMILES notation for 2-(aminomethyl)-2,3-dihydrothiophen-5-amine?
The canonical SMILES for 2-(aminomethyl)-2,3-dihydrothiophen-5-amine is NCC1CC=C(N)S1.
What is the InChIKey of 2-(aminomethyl)-2,3-dihydrothiophen-5-amine?
The InChIKey is XVEZTBOUCITRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c6-3-4-1-2-5(7)8-4/h2,4H,1,3,6-7H2.
What are the key properties of 2-(aminomethyl)-2,3-dihydrothiophen-5-amine?
2-(aminomethyl)-2,3-dihydrothiophen-5-amine has a molecular weight of 130.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2,3-dihydrothiophen-5-amine is sourced from PubChem (CID 70297679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).