2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol

C10H14ClNOS — CID 107361168

IUPAC2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
SMILESCC(O)(CNC1CC1)c1sccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(13,6-12-7-2-3-7)9-8(11)4-5-14-9/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyFIIXYLORTKYEAT-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol

2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol (PubChem CID 107361168) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
PubChem CID107361168
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
SMILESCC(O)(CNC1CC1)c1sccc1Cl
InChIInChI=1S/C10H14ClNOS/c1-10(13,6-12-7-2-3-7)9-8(11)4-5-14-9/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyFIIXYLORTKYEAT-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
1-(3-bromothiophen-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66039885
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
2-amino-1-(3-chlorothiophen-2-yl)-1-cyclopropylethanol
CID 107359149
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol (CID 107361168) is 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol is CC(O)(CNC1CC1)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol?
The InChIKey is FIIXYLORTKYEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(13,6-12-7-2-3-7)9-8(11)4-5-14-9/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol?
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol has a molecular weight of 231.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 107361168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).