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

C8H19N3O3S — CID 154472090

IUPACN-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide
SMILESCN(N)C1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-10(9)7-4-5-14-6-8(7)11(2)15(3,12)13/h7-8H,4-6,9H2,1-3H3
InChIKeyGUJSLZIZIURKIX-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.16
Rot. Bonds3

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

N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide (PubChem CID 154472090) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide
PubChem CID154472090
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC NameN-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide
SMILESCN(N)C1CCOCC1N(C)S(C)(=O)=O
InChIInChI=1S/C8H19N3O3S/c1-10(9)7-4-5-14-6-8(7)11(2)15(3,12)13/h7-8H,4-6,9H2,1-3H3
InChIKeyGUJSLZIZIURKIX-UHFFFAOYSA-N
XLogP-1.16
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
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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Related Compounds

CID 70883074
CID 70883074
CID 70883138
CID 70883138
CID 70883139
CID 70883139
CID 123375174
CID 123375174
CID 154472091
CID 154472091

Frequently Asked Questions

What is the IUPAC name of N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide (CID 154472090) is N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide is CN(N)C1CCOCC1N(C)S(C)(=O)=O.
What is the InChIKey of N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is GUJSLZIZIURKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-10(9)7-4-5-14-6-8(7)11(2)15(3,12)13/h7-8H,4-6,9H2,1-3H3.
What are the key properties of N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide?
N-[4-[amino(methyl)amino]oxan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 237.32 g/mol, XLogP of -1.16, 3 rotatable bonds, 1 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]-N-methylmethanesulfonamide is sourced from PubChem (CID 154472090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).