N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide

C9H22N2O3S — CID 106078789

IUPACN-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)C(C)CNC
InChIInChI=1S/C9H22N2O3S/c1-5-14-8(2)6-11-15(12,13)9(3)7-10-4/h8-11H,5-7H2,1-4H3
InChIKeyNBMLOBUAMQQNJB-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.06
Rot. Bonds8

About N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide

N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106078789) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106078789
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)C(C)CNC
InChIInChI=1S/C9H22N2O3S/c1-5-14-8(2)6-11-15(12,13)9(3)7-10-4/h8-11H,5-7H2,1-4H3
InChIKeyNBMLOBUAMQQNJB-UHFFFAOYSA-N
XLogP-0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
2-ethoxypropylsulfamic acid
CID 174221196
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
N-(2-ethoxypropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106078802
N-(2-ethyl-2-methylsulfanylbutyl)-1-(methylamino)propane-2-sulfonamide
CID 106092341
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815
N-(2-ethoxypropyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114142024
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
CID 115650655
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide (CID 106078789) is N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide is CCOC(C)CNS(=O)(=O)C(C)CNC.
What is the InChIKey of N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is NBMLOBUAMQQNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-5-14-8(2)6-11-15(12,13)9(3)7-10-4/h8-11H,5-7H2,1-4H3.
What are the key properties of N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide?
N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106078789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).