1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol

C8H12ClNOS — CID 130678219

IUPAC1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNOS/c1-8(11,5-10)3-6-2-7(9)12-4-6/h2,4,11H,3,5,10H2,1H3
InChIKeyVVBPTORASXIHHR-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.65
Rot. Bonds3

About 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol

1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol (PubChem CID 130678219) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol
PubChem CID130678219
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNOS/c1-8(11,5-10)3-6-2-7(9)12-4-6/h2,4,11H,3,5,10H2,1H3
InChIKeyVVBPTORASXIHHR-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol (CID 130678219) is 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1csc(Cl)c1.
What is the InChIKey of 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol?
The InChIKey is VVBPTORASXIHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-8(11,5-10)3-6-2-7(9)12-4-6/h2,4,11H,3,5,10H2,1H3.
What are the key properties of 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol?
1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol has a molecular weight of 205.71 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chlorothiophen-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 130678219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).