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

C8H18N2O3S — CID 63713483

IUPAC2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-3-6-14(11,12)10-7-8-1-4-13-5-2-8/h8,10H,1-7,9H2
InChIKeyBZGJZUVXKSIBRD-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.71
Rot. Bonds5

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

2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide (PubChem CID 63713483) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide
PubChem CID63713483
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-3-6-14(11,12)10-7-8-1-4-13-5-2-8/h8,10H,1-7,9H2
InChIKeyBZGJZUVXKSIBRD-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide (CID 63713483) is 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide is NCCS(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide?
The InChIKey is BZGJZUVXKSIBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-3-6-14(11,12)10-7-8-1-4-13-5-2-8/h8,10H,1-7,9H2.
What are the key properties of 2-amino-N-(oxan-4-ylmethyl)ethanesulfonamide?
2-amino-N-(oxan-4-ylmethyl)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-amino-N-(oxan-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 63713483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).