3-amino-3-(4-aminothiophen-2-yl)propanenitrile

C7H9N3S — CID 130000433

IUPAC3-amino-3-(4-aminothiophen-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(N)cs1
InChIInChI=1S/C7H9N3S/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6H,1,9-10H2
InChIKeyQKPXPDHABHRYTG-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-3-(4-aminothiophen-2-yl)propanenitrile

3-amino-3-(4-aminothiophen-2-yl)propanenitrile (PubChem CID 130000433) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 3-amino-3-(4-aminothiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(4-aminothiophen-2-yl)propanenitrile
PubChem CID130000433
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name3-amino-3-(4-aminothiophen-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(N)cs1
InChIInChI=1S/C7H9N3S/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6H,1,9-10H2
InChIKeyQKPXPDHABHRYTG-UHFFFAOYSA-N
XLogP1.24
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(4-aminothiophen-2-yl)propanenitrile
CID 130699826
5-[(1R)-1-aminopropyl]thiophen-3-amine
CID 131030693
3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile
CID 130002220
(3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile
CID 130673378
(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
CID 130971587
(3S)-3-amino-3-[5-(trifluoromethyl)thiophen-3-yl]propanenitrile
CID 130691687
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
CID 130987742
thiophene-2,4-diamine
CID 19989301

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-aminothiophen-2-yl)propanenitrile?
The IUPAC name of 3-amino-3-(4-aminothiophen-2-yl)propanenitrile (CID 130000433) is 3-amino-3-(4-aminothiophen-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(4-aminothiophen-2-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(4-aminothiophen-2-yl)propanenitrile is N#CCC(N)c1cc(N)cs1.
What is the InChIKey of 3-amino-3-(4-aminothiophen-2-yl)propanenitrile?
The InChIKey is QKPXPDHABHRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6H,1,9-10H2.
What are the key properties of 3-amino-3-(4-aminothiophen-2-yl)propanenitrile?
3-amino-3-(4-aminothiophen-2-yl)propanenitrile has a molecular weight of 167.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-aminothiophen-2-yl)propanenitrile is sourced from PubChem (CID 130000433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).