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

C7H9N3S — CID 130673378

IUPAC(3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1cscc1N
InChIInChI=1S/C7H9N3S/c8-2-1-6(9)5-3-11-4-7(5)10/h3-4,6H,1,9-10H2/t6-/m1/s1
InChIKeyWHZZHYYXVGNIPF-ZCFIWIBFSA-N
MW167.24 g/mol
LogP1.24
Rot. Bonds2

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

(3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile (PubChem CID 130673378) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile
PubChem CID130673378
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name(3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile
SMILESN#CC[C@@H](N)c1cscc1N
InChIInChI=1S/C7H9N3S/c8-2-1-6(9)5-3-11-4-7(5)10/h3-4,6H,1,9-10H2/t6-/m1/s1
InChIKeyWHZZHYYXVGNIPF-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile (CID 130673378) is (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile is N#CC[C@@H](N)c1cscc1N.
What is the InChIKey of (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile?
The InChIKey is WHZZHYYXVGNIPF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9N3S/c8-2-1-6(9)5-3-11-4-7(5)10/h3-4,6H,1,9-10H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile?
(3R)-3-amino-3-(4-aminothiophen-3-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 (3R)-3-amino-3-(4-aminothiophen-3-yl)propanenitrile is sourced from PubChem (CID 130673378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).