4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile

C10H14N2S — CID 81407892

IUPAC4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
SMILESC[C@@H](NCCCC#N)c1cccs1
InChIInChI=1S/C10H14N2S/c1-9(10-5-4-8-13-10)12-7-3-2-6-11/h4-5,8-9,12H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyOWDUTYQIFLDTJI-SECBINFHSA-N
MW194.30 g/mol
LogP2.70
Rot. Bonds5

About 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile

4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile (PubChem CID 81407892) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile.

Molecular Properties

Compound Name4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
PubChem CID81407892
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
SMILESC[C@@H](NCCCC#N)c1cccs1
InChIInChI=1S/C10H14N2S/c1-9(10-5-4-8-13-10)12-7-3-2-6-11/h4-5,8-9,12H,2-3,7H2,1H3/t9-/m1/s1
InChIKeyOWDUTYQIFLDTJI-SECBINFHSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
N-[(1R)-1-thiophen-2-ylethyl]heptan-1-amine
CID 81398404
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[3-(1-thiophen-2-ylethylamino)propyl]methanesulfonamide
CID 115708210
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile?
The IUPAC name of 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile (CID 81407892) is 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile.
What is the SMILES notation for 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile?
The canonical SMILES for 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile is C[C@@H](NCCCC#N)c1cccs1.
What is the InChIKey of 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile?
The InChIKey is OWDUTYQIFLDTJI-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2S/c1-9(10-5-4-8-13-10)12-7-3-2-6-11/h4-5,8-9,12H,2-3,7H2,1H3/t9-/m1/s1.
What are the key properties of 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile?
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile has a molecular weight of 194.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile is sourced from PubChem (CID 81407892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).