N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide

C8H18N2O3S — CID 70883139

IUPACN-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide
SMILESCNC1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-9-7-4-5-13-6-8(7)10(2)14(3,11)12/h7-9H,4-6H2,1-3H3
InChIKeyPIBSKEUWDHQTMI-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.75
Rot. Bonds3

About N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide

N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide (PubChem CID 70883139) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide
PubChem CID70883139
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide
SMILESCNC1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-9-7-4-5-13-6-8(7)10(2)14(3,11)12/h7-9H,4-6H2,1-3H3
InChIKeyPIBSKEUWDHQTMI-UHFFFAOYSA-N
XLogP-0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide (CID 70883139) is N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide is CNC1CCOCC1N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The InChIKey is PIBSKEUWDHQTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-9-7-4-5-13-6-8(7)10(2)14(3,11)12/h7-9H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 70883139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).