methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol

C12H29NO7S — CID 145382668

IUPACmethanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1CC(O)C(O)C(C)O1.CNS(C)(=O)=O.CO
InChIInChI=1S/C9H18O4.C2H7NO2S.CH4O/c1-5(2)12-8-4-7(10)9(11)6(3)13-8;1-3-6(2,4)5;1-2/h5-11H,4H2,1-3H3;3H,1-2H3;2H,1H3
InChIKeyZXEUEJBOIJBMBR-UHFFFAOYSA-N
MW331.43 g/mol
LogP-0.96
Rot. Bonds3

About methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol

methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol (PubChem CID 145382668) has the molecular formula C12H29NO7S and a molecular weight of 331.43 g/mol. Its IUPAC name is methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol.

Molecular Properties

Compound Namemethanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol
PubChem CID145382668
Molecular FormulaC12H29NO7S
Molecular Weight331.43 g/mol
Exact Mass331.17
IUPAC Namemethanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol
SMILESCC(C)OC1CC(O)C(O)C(C)O1.CNS(C)(=O)=O.CO
InChIInChI=1S/C9H18O4.C2H7NO2S.CH4O/c1-5(2)12-8-4-7(10)9(11)6(3)13-8;1-3-6(2,4)5;1-2/h5-11H,4H2,1-3H3;3H,1-2H3;2H,1H3
InChIKeyZXEUEJBOIJBMBR-UHFFFAOYSA-N
XLogP-0.96
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol?
The IUPAC name of methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol (CID 145382668) is methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol.
What is the SMILES notation for methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol?
The canonical SMILES for methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol is CC(C)OC1CC(O)C(O)C(C)O1.CNS(C)(=O)=O.CO.
What is the InChIKey of methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol?
The InChIKey is ZXEUEJBOIJBMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4.C2H7NO2S.CH4O/c1-5(2)12-8-4-7(10)9(11)6(3)13-8;1-3-6(2,4)5;1-2/h5-11H,4H2,1-3H3;3H,1-2H3;2H,1H3.
What are the key properties of methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol?
methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol has a molecular weight of 331.43 g/mol, XLogP of -0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-methylmethanesulfonamide;2-methyl-6-propan-2-yloxyoxane-3,4-diol is sourced from PubChem (CID 145382668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).