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

C8H12ClNOS — CID 126997882

IUPAC2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccsc1Cl
InChIInChI=1S/C8H12ClNOS/c1-8(2,10)6(11)5-3-4-12-7(5)9/h3-4,6,11H,10H2,1-2H3
InChIKeyWFKLZLWJCVOLDX-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.17
Rot. Bonds2

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

2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol (PubChem CID 126997882) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol
PubChem CID126997882
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1ccsc1Cl
InChIInChI=1S/C8H12ClNOS/c1-8(2,10)6(11)5-3-4-12-7(5)9/h3-4,6,11H,10H2,1-2H3
InChIKeyWFKLZLWJCVOLDX-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol (CID 126997882) is 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol is CC(C)(N)C(O)c1ccsc1Cl.
What is the InChIKey of 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol?
The InChIKey is WFKLZLWJCVOLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-8(2,10)6(11)5-3-4-12-7(5)9/h3-4,6,11H,10H2,1-2H3.
What are the key properties of 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol?
2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol has a molecular weight of 205.71 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 126997882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).