2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol

C11H23NO3S2 — CID 66381855

IUPAC2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol
SMILESCCC(C)(CO)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-4-11(2,9-13)8-12-5-6-16-7-10(12)17(3,14)15/h10,13H,4-9H2,1-3H3
InChIKeyNSJXQDJMASFYEB-UHFFFAOYSA-N
MW281.44 g/mol
LogP0.81
Rot. Bonds5

About 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol

2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol (PubChem CID 66381855) has the molecular formula C11H23NO3S2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol
PubChem CID66381855
Molecular FormulaC11H23NO3S2
Molecular Weight281.44 g/mol
Exact Mass281.11
IUPAC Name2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol
SMILESCCC(C)(CO)CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S2/c1-4-11(2,9-13)8-12-5-6-16-7-10(12)17(3,14)15/h10,13H,4-9H2,1-3H3
InChIKeyNSJXQDJMASFYEB-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-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

2-hydroxy-2-methyl-3-(3-methylsulfonylthiomorpholin-4-yl)propanoic acid
CID 66382213
1-(3-methylsulfonylthiomorpholin-4-yl)-2-phenylpropan-2-ol
CID 66383197
4-(2-methyl-2-piperazin-1-ylpropyl)-3-methylsulfonylthiomorpholine
CID 80550159
3,3-dimethyl-4-(3-methylsulfonylthiomorpholin-4-yl)-N-propylbutan-2-amine
CID 66454113
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
1-bromo-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 112561758
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
2-methyl-2-(3-methylsulfonylthiomorpholine-4-carbonyl)butanethioamide
CID 114292395
2-(3-methylsulfonylthiomorpholin-4-yl)ethanimidamide
CID 66382204
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol (CID 66381855) is 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol is CCC(C)(CO)CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol?
The InChIKey is NSJXQDJMASFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S2/c1-4-11(2,9-13)8-12-5-6-16-7-10(12)17(3,14)15/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol?
2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylsulfonylthiomorpholin-4-yl)methyl]butan-1-ol is sourced from PubChem (CID 66381855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).