2-(oxan-4-ylmethylamino)ethanesulfonamide

C8H18N2O3S — CID 62387014

IUPAC2-(oxan-4-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-14(11,12)6-3-10-7-8-1-4-13-5-2-8/h8,10H,1-7H2,(H2,9,11,12)
InChIKeyMCAUOJBYEVXVHZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.71
Rot. Bonds5

About 2-(oxan-4-ylmethylamino)ethanesulfonamide

2-(oxan-4-ylmethylamino)ethanesulfonamide (PubChem CID 62387014) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(oxan-4-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethylamino)ethanesulfonamide
PubChem CID62387014
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-(oxan-4-ylmethylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNCC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-14(11,12)6-3-10-7-8-1-4-13-5-2-8/h8,10H,1-7H2,(H2,9,11,12)
InChIKeyMCAUOJBYEVXVHZ-UHFFFAOYSA-N
XLogP-0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethylamino)ethanesulfonamide?
The IUPAC name of 2-(oxan-4-ylmethylamino)ethanesulfonamide (CID 62387014) is 2-(oxan-4-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(oxan-4-ylmethylamino)ethanesulfonamide?
The canonical SMILES for 2-(oxan-4-ylmethylamino)ethanesulfonamide is NS(=O)(=O)CCNCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethylamino)ethanesulfonamide?
The InChIKey is MCAUOJBYEVXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-14(11,12)6-3-10-7-8-1-4-13-5-2-8/h8,10H,1-7H2,(H2,9,11,12).
What are the key properties of 2-(oxan-4-ylmethylamino)ethanesulfonamide?
2-(oxan-4-ylmethylamino)ethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 62387014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).