N-methyl-N-(oxolan-3-yl)methanesulfonamide

C6H13NO3S — CID 78947760

IUPACN-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCN(C1CCOC1)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-7(11(2,8)9)6-3-4-10-5-6/h6H,3-5H2,1-2H3
InChIKeySTTWWXWIVFWSDU-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.33
Rot. Bonds2

About N-methyl-N-(oxolan-3-yl)methanesulfonamide

N-methyl-N-(oxolan-3-yl)methanesulfonamide (PubChem CID 78947760) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)methanesulfonamide
PubChem CID78947760
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCN(C1CCOC1)S(C)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-7(11(2,8)9)6-3-4-10-5-6/h6H,3-5H2,1-2H3
InChIKeySTTWWXWIVFWSDU-UHFFFAOYSA-N
XLogP-0.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)methanesulfonamide (CID 78947760) is N-methyl-N-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)methanesulfonamide is CN(C1CCOC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The InChIKey is STTWWXWIVFWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-7(11(2,8)9)6-3-4-10-5-6/h6H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)methanesulfonamide?
N-methyl-N-(oxolan-3-yl)methanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 78947760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).