3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol

C9H15NOS — CID 79135544

IUPAC3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cccs1
InChIInChI=1S/C9H15NOS/c1-9(2,6-10)8(11)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyALVLFWQRVMLFKG-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol

3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 79135544) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
PubChem CID79135544
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cccs1
InChIInChI=1S/C9H15NOS/c1-9(2,6-10)8(11)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3
InChIKeyALVLFWQRVMLFKG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 62677118
N,N,2,2-tetramethyl-1-thiophen-2-ylpropane-1,3-diamine
CID 116904903
(3-hydroxy-2,2-dimethyl-3-thiophen-2-ylpropyl) methanesulfonate
CID 10858352
3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 130581546
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
CID 86748367
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(R)-[(1S,2S)-1-(aminomethyl)-2-methylcyclopropyl]-thiophen-2-ylmethanol
CID 99962438
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol (CID 79135544) is 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol is CC(C)(CN)C(O)c1cccs1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is ALVLFWQRVMLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-9(2,6-10)8(11)7-4-3-5-12-7/h3-5,8,11H,6,10H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol?
3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 79135544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).