3-amino-3-thiophen-3-ylpropanenitrile

C7H8N2S — CID 55293748

IUPAC3-amino-3-thiophen-3-ylpropanenitrile
SMILESN#CCC(N)c1ccsc1
InChIInChI=1S/C7H8N2S/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7H,1,9H2
InChIKeyHMGBJKVXFGPVHY-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-3-thiophen-3-ylpropanenitrile

3-amino-3-thiophen-3-ylpropanenitrile (PubChem CID 55293748) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-amino-3-thiophen-3-ylpropanenitrile.

Molecular Properties

Compound Name3-amino-3-thiophen-3-ylpropanenitrile
PubChem CID55293748
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name3-amino-3-thiophen-3-ylpropanenitrile
SMILESN#CCC(N)c1ccsc1
InChIInChI=1S/C7H8N2S/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7H,1,9H2
InChIKeyHMGBJKVXFGPVHY-UHFFFAOYSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
CID 55296383
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171313205
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
(3S)-3-amino-3-(4-iodophenyl)propanenitrile;hydrochloride
CID 171259922
N-(2-cyano-1-thiophen-3-ylethyl)-2-methylpropane-2-sulfinamide
CID 134307299

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-3-ylpropanenitrile?
The IUPAC name of 3-amino-3-thiophen-3-ylpropanenitrile (CID 55293748) is 3-amino-3-thiophen-3-ylpropanenitrile.
What is the SMILES notation for 3-amino-3-thiophen-3-ylpropanenitrile?
The canonical SMILES for 3-amino-3-thiophen-3-ylpropanenitrile is N#CCC(N)c1ccsc1.
What is the InChIKey of 3-amino-3-thiophen-3-ylpropanenitrile?
The InChIKey is HMGBJKVXFGPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5,7H,1,9H2.
What are the key properties of 3-amino-3-thiophen-3-ylpropanenitrile?
3-amino-3-thiophen-3-ylpropanenitrile has a molecular weight of 152.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-3-ylpropanenitrile is sourced from PubChem (CID 55293748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).