[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol

C12H19NOS — CID 102547503

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CC(C)C2)s1
InChIInChI=1S/C12H19NOS/c1-8-5-12(6-8,7-13)11(14)10-4-3-9(2)15-10/h3-4,8,11,14H,5-7,13H2,1-2H3
InChIKeyUHOQGWATBWHJQM-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.46
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol

[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol (PubChem CID 102547503) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
PubChem CID102547503
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2(CN)CC(C)C2)s1
InChIInChI=1S/C12H19NOS/c1-8-5-12(6-8,7-13)11(14)10-4-3-9(2)15-10/h3-4,8,11,14H,5-7,13H2,1-2H3
InChIKeyUHOQGWATBWHJQM-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol (CID 102547503) is [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)C2(CN)CC(C)C2)s1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol?
The InChIKey is UHOQGWATBWHJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-8-5-12(6-8,7-13)11(14)10-4-3-9(2)15-10/h3-4,8,11,14H,5-7,13H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol?
[1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol has a molecular weight of 225.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 102547503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).