2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol

C9H15NOS — CID 130874727

IUPAC2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(CC(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-3-9(12-7(6)2)4-8(10)5-11/h3,8,11H,4-5,10H2,1-2H3
InChIKeyOXTGHCFPDIDHFK-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.23
Rot. Bonds3

About 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol

2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol (PubChem CID 130874727) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol
PubChem CID130874727
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc(CC(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-3-9(12-7(6)2)4-8(10)5-11/h3,8,11H,4-5,10H2,1-2H3
InChIKeyOXTGHCFPDIDHFK-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
CID 170892169
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
CID 170892793
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
methyl 2-[(4,5-dimethylthiophen-2-yl)methylamino]propanoate
CID 65243717
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol (CID 130874727) is 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol is Cc1cc(CC(N)CO)sc1C.
What is the InChIKey of 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The InChIKey is OXTGHCFPDIDHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6-3-9(12-7(6)2)4-8(10)5-11/h3,8,11H,4-5,10H2,1-2H3.
What are the key properties of 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol?
2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-dimethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130874727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).