[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol

C10H21NO4S — CID 65049891

IUPAC[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
SMILESCOCCNC1(CO)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-15-7-6-11-10(8-12)5-3-4-9(10)16(2,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyHMOXMVKHXFNRAU-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.45
Rot. Bonds6

About [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol

[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol (PubChem CID 65049891) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
PubChem CID65049891
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol
SMILESCOCCNC1(CO)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-15-7-6-11-10(8-12)5-3-4-9(10)16(2,13)14/h9,11-12H,3-8H2,1-2H3
InChIKeyHMOXMVKHXFNRAU-UHFFFAOYSA-N
XLogP-0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol 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-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol?
The IUPAC name of [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol (CID 65049891) is [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol.
What is the SMILES notation for [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol?
The canonical SMILES for [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol is COCCNC1(CO)CCCC1S(C)(=O)=O.
What is the InChIKey of [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol?
The InChIKey is HMOXMVKHXFNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-15-7-6-11-10(8-12)5-3-4-9(10)16(2,13)14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol?
[1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol has a molecular weight of 251.35 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-2-methylsulfonylcyclopentyl]methanol is sourced from PubChem (CID 65049891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).