1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol

C8H17NO3S — CID 65049736

IUPAC1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol
SMILESCNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9-6-8(10)5-3-4-7(8)13(2,11)12/h7,9-10H,3-6H2,1-2H3
InChIKeyKOUKSEALEZYOHI-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.47
Rot. Bonds3

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

1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049736) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049736
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol
SMILESCNCC1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9-6-8(10)5-3-4-7(8)13(2,11)12/h7,9-10H,3-6H2,1-2H3
InChIKeyKOUKSEALEZYOHI-UHFFFAOYSA-N
XLogP-0.47
TPSA66.40 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 ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol (CID 65049736) is 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol is CNCC1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is KOUKSEALEZYOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9-6-8(10)5-3-4-7(8)13(2,11)12/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol?
1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 207.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).