2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide

C9H22N4O3S — CID 54952507

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-11(2)9(14)8-13(4)17(15,16)12(3)7-5-6-10/h5-8,10H2,1-4H3
InChIKeyBCQQCLJTKUIJCX-UHFFFAOYSA-N
MW266.37 g/mol
LogP-1.47
Rot. Bonds7

About 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide

2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 54952507) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
PubChem CID54952507
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H22N4O3S/c1-11(2)9(14)8-13(4)17(15,16)12(3)7-5-6-10/h5-8,10H2,1-4H3
InChIKeyBCQQCLJTKUIJCX-UHFFFAOYSA-N
XLogP-1.47
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide 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-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
2-[3-aminopropylsulfonyl(methyl)amino]-N,N-dimethylacetamide
CID 60910488
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N-propylacetamide
CID 54952205
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
CID 105416138
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide (CID 54952507) is 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is BCQQCLJTKUIJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-11(2)9(14)8-13(4)17(15,16)12(3)7-5-6-10/h5-8,10H2,1-4H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide?
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 266.37 g/mol, XLogP of -1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 54952507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).