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

C7H16N2O3S — CID 43610045

IUPAC2-amino-N-(oxan-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C7H16N2O3S/c8-3-6-13(10,11)9-7-1-4-12-5-2-7/h7,9H,1-6,8H2
InChIKeyVYPWNAKDDUOPAD-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.96
Rot. Bonds4

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

2-amino-N-(oxan-4-yl)ethanesulfonamide (PubChem CID 43610045) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-amino-N-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(oxan-4-yl)ethanesulfonamide
PubChem CID43610045
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-amino-N-(oxan-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C7H16N2O3S/c8-3-6-13(10,11)9-7-1-4-12-5-2-7/h7,9H,1-6,8H2
InChIKeyVYPWNAKDDUOPAD-UHFFFAOYSA-N
XLogP-0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.96
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-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(oxan-4-yl)ethanesulfonamide (CID 43610045) is 2-amino-N-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(oxan-4-yl)ethanesulfonamide is NCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of 2-amino-N-(oxan-4-yl)ethanesulfonamide?
The InChIKey is VYPWNAKDDUOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c8-3-6-13(10,11)9-7-1-4-12-5-2-7/h7,9H,1-6,8H2.
What are the key properties of 2-amino-N-(oxan-4-yl)ethanesulfonamide?
2-amino-N-(oxan-4-yl)ethanesulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.96, 4 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-yl)ethanesulfonamide is sourced from PubChem (CID 43610045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).