(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol

C8H13NOS — CID 130683153

IUPAC(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccsc1
InChIInChI=1S/C8H13NOS/c1-2-7(10)8(9)6-3-4-11-5-6/h3-5,7-8,10H,2,9H2,1H3/t7-,8+/m1/s1
InChIKeyXFRDZXUTHJZWSU-SFYZADRCSA-N
MW171.27 g/mol
LogP1.52
Rot. Bonds3

About (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol

(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol (PubChem CID 130683153) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
PubChem CID130683153
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
SMILESCC[C@@H](O)[C@@H](N)c1ccsc1
InChIInChI=1S/C8H13NOS/c1-2-7(10)8(9)6-3-4-11-5-6/h3-5,7-8,10H,2,9H2,1H3/t7-,8+/m1/s1
InChIKeyXFRDZXUTHJZWSU-SFYZADRCSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
3-(methylamino)-1-thiophen-3-ylpropane-1,2-diol
CID 171857359
methyl 3-amino-2-hydroxy-3-thiophen-3-ylpropanoate
CID 19756647
5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
CID 171261128
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)butan-2-ol;hydrochloride
CID 171162399
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-methylidene-1-thiophen-3-ylpentan-1-amine
CID 66044101
ethyl 2-thiophen-3-ylbutanoate
CID 12577566

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol (CID 130683153) is (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol is CC[C@@H](O)[C@@H](N)c1ccsc1.
What is the InChIKey of (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol?
The InChIKey is XFRDZXUTHJZWSU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-7(10)8(9)6-3-4-11-5-6/h3-5,7-8,10H,2,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol?
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 130683153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).