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

C8H10ClNOS — CID 131113787

IUPAC3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccsc2Cl)C1
InChIInChI=1S/C8H10ClNOS/c9-7-6(1-2-12-7)8(11)3-5(10)4-8/h1-2,5,11H,3-4,10H2
InChIKeyRGSDDRPLMSOEPJ-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.71
Rot. Bonds1

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

3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol (PubChem CID 131113787) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol
PubChem CID131113787
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccsc2Cl)C1
InChIInChI=1S/C8H10ClNOS/c9-7-6(1-2-12-7)8(11)3-5(10)4-8/h1-2,5,11H,3-4,10H2
InChIKeyRGSDDRPLMSOEPJ-UHFFFAOYSA-N
XLogP1.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol (CID 131113787) is 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol is NC1CC(O)(c2ccsc2Cl)C1.
What is the InChIKey of 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol?
The InChIKey is RGSDDRPLMSOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c9-7-6(1-2-12-7)8(11)3-5(10)4-8/h1-2,5,11H,3-4,10H2.
What are the key properties of 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol?
3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol has a molecular weight of 203.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chlorothiophen-3-yl)cyclobutan-1-ol is sourced from PubChem (CID 131113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).