1-(dimethylsulfamoylamino)-3-(methylamino)propane

C6H17N3O2S — CID 43602858

IUPAC1-(dimethylsulfamoylamino)-3-(methylamino)propane
SMILESCNCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C6H17N3O2S/c1-7-5-4-6-8-12(10,11)9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJCQMZKVABGJPEE-UHFFFAOYSA-N
MW195.29 g/mol
LogP-1.01
Rot. Bonds6

About 1-(dimethylsulfamoylamino)-3-(methylamino)propane

1-(dimethylsulfamoylamino)-3-(methylamino)propane (PubChem CID 43602858) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-(methylamino)propane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-(methylamino)propane
PubChem CID43602858
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name1-(dimethylsulfamoylamino)-3-(methylamino)propane
SMILESCNCCCNS(=O)(=O)N(C)C
InChIInChI=1S/C6H17N3O2S/c1-7-5-4-6-8-12(10,11)9(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJCQMZKVABGJPEE-UHFFFAOYSA-N
XLogP-1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(dimethylsulfamoylamino)-3-(methylamino)propane 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-Methyl-[1,2,6]thiadiazinane 1,1-dioxide
CID 10080560
N-[3-(dimethylamino)propylsulfamoyl]-N',N'-dimethylpropane-1,3-diamine
CID 53316867
N-[3-(methylamino)propyl]methanesulfonamide
CID 23573809
1-(3-Aminopropylamino)-4-[3-(sulfamoylamino)propylamino]butane
CID 87739643
3-(Fluorosulfonylamino)propyl-trimethylazanium
CID 130266408
N-[3-(dimethylamino)propyl]sulfamoyl fluoride
CID 145796876
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 61456649
3-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
CID 63226678
N,N'-dimethyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65773973
1,1,1-Trifluoro-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propane
CID 65799383
1-(Methylamino)-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 65801069
N,N'-dimethyl-N'-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propane-1,3-diamine
CID 65825897

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-(methylamino)propane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-(methylamino)propane (CID 43602858) is 1-(dimethylsulfamoylamino)-3-(methylamino)propane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-(methylamino)propane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-(methylamino)propane is CNCCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-(methylamino)propane?
The InChIKey is JCQMZKVABGJPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-7-5-4-6-8-12(10,11)9(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-(methylamino)propane?
1-(dimethylsulfamoylamino)-3-(methylamino)propane has a molecular weight of 195.29 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-(methylamino)propane is sourced from PubChem (CID 43602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).