3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane

C9H21N3O3S — CID 106072363

IUPAC3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
SMILESCNCCCN(C)S(=O)(=O)NC1CCOC1
InChIInChI=1S/C9H21N3O3S/c1-10-5-3-6-12(2)16(13,14)11-9-4-7-15-8-9/h9-11H,3-8H2,1-2H3
InChIKeyOKVTUYXVVAJCHY-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.85
Rot. Bonds7

About 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane

3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane (PubChem CID 106072363) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane.

Molecular Properties

Compound Name3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
PubChem CID106072363
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
SMILESCNCCCN(C)S(=O)(=O)NC1CCOC1
InChIInChI=1S/C9H21N3O3S/c1-10-5-3-6-12(2)16(13,14)11-9-4-7-15-8-9/h9-11H,3-8H2,1-2H3
InChIKeyOKVTUYXVVAJCHY-UHFFFAOYSA-N
XLogP-0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.85
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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Related Compounds

3-[[3-aminopropyl(methyl)sulfamoyl]amino]oxolane
CID 80716322
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
1,1,3,3-tetramethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106077353
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
N-methyl-4-(methylamino)-N-(oxolan-3-yl)butane-1-sulfonamide
CID 82745164
2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
CID 114106932
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
CID 106094370
N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide
CID 82744486
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane?
The IUPAC name of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane (CID 106072363) is 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane.
What is the SMILES notation for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane?
The canonical SMILES for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane is CNCCCN(C)S(=O)(=O)NC1CCOC1.
What is the InChIKey of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane?
The InChIKey is OKVTUYXVVAJCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-10-5-3-6-12(2)16(13,14)11-9-4-7-15-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane?
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane has a molecular weight of 251.35 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane is sourced from PubChem (CID 106072363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).