1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol

C10H21NO4S — CID 79087192

IUPAC1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCN1CCOC(C(O)CCCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO4S/c1-11-5-6-15-10(8-11)9(12)4-3-7-16(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyKJCZJUCKMKGOOC-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.50
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol

1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol (PubChem CID 79087192) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol
PubChem CID79087192
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol
SMILESCN1CCOC(C(O)CCCS(C)(=O)=O)C1
InChIInChI=1S/C10H21NO4S/c1-11-5-6-15-10(8-11)9(12)4-3-7-16(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyKJCZJUCKMKGOOC-UHFFFAOYSA-N
XLogP-0.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-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

Related Compounds

4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
CID 79669633
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
4-methylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-ol
CID 79963686
4,4-dimethyl-1-(4-methylmorpholin-2-yl)pentan-1-ol
CID 79087851
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanol
CID 79087571
3-methyl-1-(4-methylmorpholin-2-yl)pentan-1-ol
CID 79087186
1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780261
1-(4-methylmorpholin-2-yl)ethanol;hydrate
CID 173248751
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
3-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)propan-1-ol
CID 114529802

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol (CID 79087192) is 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol is CN1CCOC(C(O)CCCS(C)(=O)=O)C1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol?
The InChIKey is KJCZJUCKMKGOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-11-5-6-15-10(8-11)9(12)4-3-7-16(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol?
1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol has a molecular weight of 251.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 79087192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).