2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide

C9H20N2O3S — CID 63708065

IUPAC2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-10-4-7-15(12,13)11-8-9-2-5-14-6-3-9/h9-11H,2-8H2,1H3
InChIKeyUZLXSPFIESXTFR-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.45
Rot. Bonds6

About 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide

2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide (PubChem CID 63708065) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
PubChem CID63708065
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-10-4-7-15(12,13)11-8-9-2-5-14-6-3-9/h9-11H,2-8H2,1H3
InChIKeyUZLXSPFIESXTFR-UHFFFAOYSA-N
XLogP-0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide (CID 63708065) is 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide is CNCCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide?
The InChIKey is UZLXSPFIESXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-4-7-15(12,13)11-8-9-2-5-14-6-3-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide?
2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 63708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).