2-(thiophen-2-ylamino)propanenitrile

C7H8N2S — CID 115129839

IUPAC2-(thiophen-2-ylamino)propanenitrile
SMILESCC(C#N)Nc1cccs1
InChIInChI=1S/C7H8N2S/c1-6(5-8)9-7-3-2-4-10-7/h2-4,6,9H,1H3
InChIKeyCQFMXDSJJMZNPB-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.07
Rot. Bonds2

About 2-(thiophen-2-ylamino)propanenitrile

2-(thiophen-2-ylamino)propanenitrile (PubChem CID 115129839) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-(thiophen-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-(thiophen-2-ylamino)propanenitrile
PubChem CID115129839
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-(thiophen-2-ylamino)propanenitrile
SMILESCC(C#N)Nc1cccs1
InChIInChI=1S/C7H8N2S/c1-6(5-8)9-7-3-2-4-10-7/h2-4,6,9H,1H3
InChIKeyCQFMXDSJJMZNPB-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
CID 115254214
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744
ethane;N-methylthiophen-2-amine
CID 144863562
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile
CID 118194243
2-(4-chloroanilino)propanenitrile
CID 60987659
2-(2-benzylanilino)propanenitrile
CID 54941633
2-(2-phenylanilino)propanenitrile
CID 54941632
2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylamino)propanenitrile?
The IUPAC name of 2-(thiophen-2-ylamino)propanenitrile (CID 115129839) is 2-(thiophen-2-ylamino)propanenitrile.
What is the SMILES notation for 2-(thiophen-2-ylamino)propanenitrile?
The canonical SMILES for 2-(thiophen-2-ylamino)propanenitrile is CC(C#N)Nc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylamino)propanenitrile?
The InChIKey is CQFMXDSJJMZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-6(5-8)9-7-3-2-4-10-7/h2-4,6,9H,1H3.
What are the key properties of 2-(thiophen-2-ylamino)propanenitrile?
2-(thiophen-2-ylamino)propanenitrile has a molecular weight of 152.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylamino)propanenitrile is sourced from PubChem (CID 115129839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).