N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide

C7H17N3O3S — CID 123375174

IUPACN-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide
SMILESCN(N)C1CCOCC1NS(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-10(8)7-3-4-13-5-6(7)9-14(2,11)12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyMZXFYRLFFRHCGX-UHFFFAOYSA-N
MW223.30 g/mol
LogP-1.50
Rot. Bonds3

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

N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide (PubChem CID 123375174) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide
PubChem CID123375174
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC NameN-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide
SMILESCN(N)C1CCOCC1NS(C)(=O)=O
InChIInChI=1S/C7H17N3O3S/c1-10(8)7-3-4-13-5-6(7)9-14(2,11)12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyMZXFYRLFFRHCGX-UHFFFAOYSA-N
XLogP-1.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide?
The IUPAC name of N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide (CID 123375174) is N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide is CN(N)C1CCOCC1NS(C)(=O)=O.
What is the InChIKey of N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide?
The InChIKey is MZXFYRLFFRHCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-10(8)7-3-4-13-5-6(7)9-14(2,11)12/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide?
N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide has a molecular weight of 223.30 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[amino(methyl)amino]oxan-3-yl]methanesulfonamide is sourced from PubChem (CID 123375174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).