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

C11H25N3O3S — CID 114106932

IUPAC2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
SMILESCNCCCN(C)S(=O)(=O)NCC1CCOC1C
InChIInChI=1S/C11H25N3O3S/c1-10-11(5-8-17-10)9-13-18(15,16)14(3)7-4-6-12-2/h10-13H,4-9H2,1-3H3
InChIKeyDPEHCQOLSTXYRJ-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.21
Rot. Bonds8

About 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane

2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane (PubChem CID 114106932) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane.

Molecular Properties

Compound Name2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
PubChem CID114106932
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane
SMILESCNCCCN(C)S(=O)(=O)NCC1CCOC1C
InChIInChI=1S/C11H25N3O3S/c1-10-11(5-8-17-10)9-13-18(15,16)14(3)7-4-6-12-2/h10-13H,4-9H2,1-3H3
InChIKeyDPEHCQOLSTXYRJ-UHFFFAOYSA-N
XLogP-0.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.21
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

1-methyl-2-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]cyclopentane
CID 106088303
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
2-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]oxane
CID 106094370
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methyloxolane
CID 82726272
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1,3-dimethyl-5-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane?
The IUPAC name of 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane (CID 114106932) is 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane.
What is the SMILES notation for 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane?
The canonical SMILES for 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane is CNCCCN(C)S(=O)(=O)NCC1CCOC1C.
What is the InChIKey of 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane?
The InChIKey is DPEHCQOLSTXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10-11(5-8-17-10)9-13-18(15,16)14(3)7-4-6-12-2/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane?
2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane has a molecular weight of 279.41 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]oxolane is sourced from PubChem (CID 114106932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).