1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol

C11H21NO3S — CID 79124427

IUPAC1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1(CN)CCC1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)9-4-2-7-11(9,13)10(8-12)5-3-6-10/h9,13H,2-8,12H2,1H3
InChIKeyFGRCQWUCILZWNA-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.44
Rot. Bonds3

About 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol

1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 79124427) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID79124427
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1(CN)CCC1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)9-4-2-7-11(9,13)10(8-12)5-3-6-10/h9,13H,2-8,12H2,1H3
InChIKeyFGRCQWUCILZWNA-UHFFFAOYSA-N
XLogP0.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol (CID 79124427) is 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is FGRCQWUCILZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)9-4-2-7-11(9,13)10(8-12)5-3-6-10/h9,13H,2-8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 79124427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).