N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide

C9H20N2O3S — CID 82744486

IUPACN-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O3S/c1-10-5-3-7-15(12,13)11(2)9-4-6-14-8-9/h9-10H,3-8H2,1-2H3
InChIKeyKMVUIIIEJPUNIK-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds6

About N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide

N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide (PubChem CID 82744486) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide
PubChem CID82744486
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C9H20N2O3S/c1-10-5-3-7-15(12,13)11(2)9-4-6-14-8-9/h9-10H,3-8H2,1-2H3
InChIKeyKMVUIIIEJPUNIK-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(methylamino)-N-(oxolan-3-yl)butane-1-sulfonamide
CID 82745164
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745
3-chloro-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
CID 43653909
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 82745275
1-[4-(chloromethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82745962
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-3-sulfonamide
CID 82746069
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172
3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]oxolane
CID 106072363
3-[methyl-[methyl(oxolan-3-yl)sulfamoyl]amino]propan-1-ol
CID 82746138
2-(3-aminophenyl)sulfanyl-N-methyl-N-(oxolan-3-yl)ethanesulfonamide
CID 82741460
1-chloro-N-methyl-N-(oxolan-3-yl)propane-2-sulfonamide
CID 82746149
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide?
The IUPAC name of N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide (CID 82744486) is N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide is CNCCCS(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide?
The InChIKey is KMVUIIIEJPUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-10-5-3-7-15(12,13)11(2)9-4-6-14-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide?
N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-N-(oxolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 82744486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).