4-amino-2-(4-methylthiophen-2-yl)butan-2-ol

C9H15NOS — CID 123975252

IUPAC4-amino-2-(4-methylthiophen-2-yl)butan-2-ol
SMILESCc1csc(C(C)(O)CCN)c1
InChIInChI=1S/C9H15NOS/c1-7-5-8(12-6-7)9(2,11)3-4-10/h5-6,11H,3-4,10H2,1-2H3
InChIKeyVHUPRJGCYWCECB-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.61
Rot. Bonds3

About 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol

4-amino-2-(4-methylthiophen-2-yl)butan-2-ol (PubChem CID 123975252) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(4-methylthiophen-2-yl)butan-2-ol
PubChem CID123975252
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-amino-2-(4-methylthiophen-2-yl)butan-2-ol
SMILESCc1csc(C(C)(O)CCN)c1
InChIInChI=1S/C9H15NOS/c1-7-5-8(12-6-7)9(2,11)3-4-10/h5-6,11H,3-4,10H2,1-2H3
InChIKeyVHUPRJGCYWCECB-UHFFFAOYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium, (3-hydroxy-3-(2-thienyl)-5-hexenyl)trimethyl-, iodide
CID 6433323
1-Amino-2-(thiophen-2-yl)propan-2-ol
CID 24271630
3-Amino-1-(thiophen-2-yl)butan-1-ol
CID 66989084
(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67565866
(1R,2R)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67900490
(1S)-3-amino-1-(thiophen-2-yl)propan-1-ol
CID 28267103
3-Thiophen-2-ylpyrrolidin-3-ol
CID 3051401
[(E)-3-hydroxy-3-thiophen-2-ylhex-4-enyl]-trimethylazanium
CID 6433324
3-Amino-1,1,1-trifluoro-2-thiophen-2-ylbutan-2-ol
CID 63081207
3-Amino-1,1,1-trifluoro-2-thiophen-2-ylpentan-2-ol
CID 63081208
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
CID 65099485
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)pentan-2-ol
CID 65099486

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol (CID 123975252) is 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol is Cc1csc(C(C)(O)CCN)c1.
What is the InChIKey of 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol?
The InChIKey is VHUPRJGCYWCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-5-8(12-6-7)9(2,11)3-4-10/h5-6,11H,3-4,10H2,1-2H3.
What are the key properties of 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol?
4-amino-2-(4-methylthiophen-2-yl)butan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 123975252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).