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

C7H16N2O3S — CID 70883137

IUPACN-[4-(methylamino)oxan-3-yl]methanesulfonamide
SMILESCNC1CCOCC1NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-8-6-3-4-12-5-7(6)9-13(2,10)11/h6-9H,3-5H2,1-2H3
InChIKeyZQFGTYPZSXKRAY-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.09
Rot. Bonds3

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

N-[4-(methylamino)oxan-3-yl]methanesulfonamide (PubChem CID 70883137) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[4-(methylamino)oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(methylamino)oxan-3-yl]methanesulfonamide
PubChem CID70883137
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN-[4-(methylamino)oxan-3-yl]methanesulfonamide
SMILESCNC1CCOCC1NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-8-6-3-4-12-5-7(6)9-13(2,10)11/h6-9H,3-5H2,1-2H3
InChIKeyZQFGTYPZSXKRAY-UHFFFAOYSA-N
XLogP-1.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The IUPAC name of N-[4-(methylamino)oxan-3-yl]methanesulfonamide (CID 70883137) is N-[4-(methylamino)oxan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-(methylamino)oxan-3-yl]methanesulfonamide is CNC1CCOCC1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
The InChIKey is ZQFGTYPZSXKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-8-6-3-4-12-5-7(6)9-13(2,10)11/h6-9H,3-5H2,1-2H3.
What are the key properties of N-[4-(methylamino)oxan-3-yl]methanesulfonamide?
N-[4-(methylamino)oxan-3-yl]methanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 70883137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).