N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide

C8H17NO3S — CID 71997842

IUPACN,N-dimethyl-1-(oxan-4-yl)methanesulfonamide
SMILESCN(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-9(2)13(10,11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyXEFWJLDQFZNBPG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.30
Rot. Bonds3

About N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide

N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide (PubChem CID 71997842) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxan-4-yl)methanesulfonamide
PubChem CID71997842
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN,N-dimethyl-1-(oxan-4-yl)methanesulfonamide
SMILESCN(C)S(=O)(=O)CC1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-9(2)13(10,11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3
InChIKeyXEFWJLDQFZNBPG-UHFFFAOYSA-N
XLogP0.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide (CID 71997842) is N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide is CN(C)S(=O)(=O)CC1CCOCC1.
What is the InChIKey of N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is XEFWJLDQFZNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9(2)13(10,11)7-8-3-5-12-6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide?
N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 71997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).