2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol

C9H12ClNOS — CID 107359149

IUPAC2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
SMILESNCC(O)(c1sccc1Cl)C1CC1
InChIInChI=1S/C9H12ClNOS/c10-7-3-4-13-8(7)9(12,5-11)6-1-2-6/h3-4,6,12H,1-2,5,11H2
InChIKeyIBCOURVWVGBZTL-UHFFFAOYSA-N
MW217.72 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol

2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol (PubChem CID 107359149) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
PubChem CID107359149
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
SMILESNCC(O)(c1sccc1Cl)C1CC1
InChIInChI=1S/C9H12ClNOS/c10-7-3-4-13-8(7)9(12,5-11)6-1-2-6/h3-4,6,12H,1-2,5,11H2
InChIKeyIBCOURVWVGBZTL-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclopropylethanol
CID 114637796
3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 107360733
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol?
The IUPAC name of 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol (CID 107359149) is 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol is NCC(O)(c1sccc1Cl)C1CC1.
What is the InChIKey of 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol?
The InChIKey is IBCOURVWVGBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c10-7-3-4-13-8(7)9(12,5-11)6-1-2-6/h3-4,6,12H,1-2,5,11H2.
What are the key properties of 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol?
2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol has a molecular weight of 217.72 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol is sourced from PubChem (CID 107359149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).