1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol

C8H17NO3S — CID 79125934

IUPAC1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)CCN
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-4-8(7,10)5-6-9/h7,10H,2-6,9H2,1H3
InChIKeyCOIIOFLNFJLPIH-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.34
Rot. Bonds3

About 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol

1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 79125934) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID79125934
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)CCN
InChIInChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-4-8(7,10)5-6-9/h7,10H,2-6,9H2,1H3
InChIKeyCOIIOFLNFJLPIH-UHFFFAOYSA-N
XLogP-0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol (CID 79125934) is 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)CCN.
What is the InChIKey of 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is COIIOFLNFJLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(11,12)7-3-2-4-8(7,10)5-6-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol?
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 79125934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).