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

C12H23NO3S — CID 79125406

IUPAC1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1(CN)CCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)10-5-4-8-12(10,14)11(9-13)6-2-3-7-11/h10,14H,2-9,13H2,1H3
InChIKeyZIEJCXWRUZZQEZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.83
Rot. Bonds3

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

1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol (PubChem CID 79125406) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol
PubChem CID79125406
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1(CN)CCCC1
InChIInChI=1S/C12H23NO3S/c1-17(15,16)10-5-4-8-12(10,14)11(9-13)6-2-3-7-11/h10,14H,2-9,13H2,1H3
InChIKeyZIEJCXWRUZZQEZ-UHFFFAOYSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol (CID 79125406) is 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is ZIEJCXWRUZZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-17(15,16)10-5-4-8-12(10,14)11(9-13)6-2-3-7-11/h10,14H,2-9,13H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol?
1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 79125406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).