(2S)-1-amino-2-thiophen-2-ylpropan-2-ol

C7H11NOS — CID 42183542

IUPAC(2S)-1-amino-2-thiophen-2-ylpropan-2-ol
SMILESC[C@](O)(CN)c1cccs1
InChIInChI=1S/C7H11NOS/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3/t7-/m0/s1
InChIKeyZJJKSRKFQJJIKJ-ZETCQYMHSA-N
MW157.24 g/mol
LogP0.91
Rot. Bonds2

About (2S)-1-amino-2-thiophen-2-ylpropan-2-ol

(2S)-1-amino-2-thiophen-2-ylpropan-2-ol (PubChem CID 42183542) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (2S)-1-amino-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-2-thiophen-2-ylpropan-2-ol
PubChem CID42183542
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(2S)-1-amino-2-thiophen-2-ylpropan-2-ol
SMILESC[C@](O)(CN)c1cccs1
InChIInChI=1S/C7H11NOS/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3/t7-/m0/s1
InChIKeyZJJKSRKFQJJIKJ-ZETCQYMHSA-N
XLogP0.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(thiophen-2-yl)ethan-1-ol
CID 436152
alpha-((Methylamino)methyl)-2-thiophenemethanol
CID 22498745
3-(Thiophen-2-yl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051400
Ammonium, (3-hydroxy-3-(2-thienyl)-5-hexenyl)trimethyl-, iodide
CID 6433323
1-Amino-2-(thiophen-2-yl)propan-2-ol
CID 24271630
2-(Thiophen-2-yl)propan-2-ol
CID 220065
2-Amino-1-(3-methylthiophen-2-yl)ethan-1-ol
CID 16768503
2-Amino-1-cyclopropyl-1-(2-thienyl)ethanol
CID 71683829
N-[2-hydroxy-2-(thiophen-2-yl)propyl]methanesulfonamide
CID 71782462
N-[2-hydroxy-2-(thiophen-2-yl)propyl]butane-1-sulfonamide
CID 71782464
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide
CID 75400460
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
CID 95983458

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-amino-2-thiophen-2-ylpropan-2-ol (CID 42183542) is (2S)-1-amino-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-amino-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-amino-2-thiophen-2-ylpropan-2-ol is C[C@](O)(CN)c1cccs1.
What is the InChIKey of (2S)-1-amino-2-thiophen-2-ylpropan-2-ol?
The InChIKey is ZJJKSRKFQJJIKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11NOS/c1-7(9,5-8)6-3-2-4-10-6/h2-4,9H,5,8H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-amino-2-thiophen-2-ylpropan-2-ol?
(2S)-1-amino-2-thiophen-2-ylpropan-2-ol has a molecular weight of 157.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 42183542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).