4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile

C8H10N2OS — CID 55293892

IUPAC4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile
SMILESC[C@H](O)[C@@H](N)c1csc(C#N)c1
InChIInChI=1S/C8H10N2OS/c1-5(11)8(10)6-2-7(3-9)12-4-6/h2,4-5,8,11H,10H2,1H3/t5-,8+/m0/s1
InChIKeyWKLFORZHAJIEIR-YLWLKBPMSA-N
MW182.25 g/mol
LogP1.00
Rot. Bonds2

About 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile

4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile (PubChem CID 55293892) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile
PubChem CID55293892
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile
SMILESC[C@H](O)[C@@H](N)c1csc(C#N)c1
InChIInChI=1S/C8H10N2OS/c1-5(11)8(10)6-2-7(3-9)12-4-6/h2,4-5,8,11H,10H2,1H3/t5-,8+/m0/s1
InChIKeyWKLFORZHAJIEIR-YLWLKBPMSA-N
XLogP1.00
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile?
The IUPAC name of 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile (CID 55293892) is 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile.
What is the SMILES notation for 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile?
The canonical SMILES for 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile is C[C@H](O)[C@@H](N)c1csc(C#N)c1.
What is the InChIKey of 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile?
The InChIKey is WKLFORZHAJIEIR-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5(11)8(10)6-2-7(3-9)12-4-6/h2,4-5,8,11H,10H2,1H3/t5-,8+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile?
4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile has a molecular weight of 182.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-amino-2-hydroxypropyl]thiophene-2-carbonitrile is sourced from PubChem (CID 55293892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).