2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol

C10H21NO4S — CID 107270852

IUPAC2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H21NO4S/c1-8(6-16(3,13)14)11-7-10(12)4-5-15-9(10)2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyUYJSEGDZFVDEKS-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.45
Rot. Bonds5

About 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol

2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 107270852) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
PubChem CID107270852
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H21NO4S/c1-8(6-16(3,13)14)11-7-10(12)4-5-15-9(10)2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyUYJSEGDZFVDEKS-UHFFFAOYSA-N
XLogP-0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
4-[1-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethyl]benzenesulfonamide
CID 107270686
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 106101055
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
CID 64643391
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[[1-(3-fluorophenyl)propan-2-ylamino]methyl]-2-methyloxolan-3-ol
CID 107270655
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]hexanoic acid
CID 106102621
3-[(1-methoxybutan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 107270775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol (CID 107270852) is 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol is CC(CS(C)(=O)=O)NCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is UYJSEGDZFVDEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(6-16(3,13)14)11-7-10(12)4-5-15-9(10)2/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol?
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 251.35 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 107270852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).