4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol

C9H19NO4S — CID 79552094

IUPAC4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
SMILESCC(C)(CNC1COCC1O)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,15(3,12)13)6-10-7-4-14-5-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyZTKTUNDNJDZTOF-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.84
Rot. Bonds4

About 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol

4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol (PubChem CID 79552094) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
PubChem CID79552094
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
SMILESCC(C)(CNC1COCC1O)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,15(3,12)13)6-10-7-4-14-5-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyZTKTUNDNJDZTOF-UHFFFAOYSA-N
XLogP-0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-2-methylsulfonylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 79552365
3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
CID 106276490
4-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)oxolane-3-carboxamide
CID 79549781
4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol
CID 103816259
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
CID 106247131
2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
CID 165466451
(3S,4R)-4-[(methylsulfonimidoyl)amino]oxolan-3-ol
CID 164648322
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373
N-(2-methyl-2-methylsulfonylpropyl)adamantan-2-amine
CID 79552069
(3S,4R)-4-(methylsulfamoylamino)oxolan-3-ol
CID 130671824
3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79552187
2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79558305

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol (CID 79552094) is 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol is CC(C)(CNC1COCC1O)S(C)(=O)=O.
What is the InChIKey of 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol?
The InChIKey is ZTKTUNDNJDZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,15(3,12)13)6-10-7-4-14-5-8(7)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol?
4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol has a molecular weight of 237.32 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol is sourced from PubChem (CID 79552094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).