N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine

C12H29N3O2S2 — CID 112667380

IUPACN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(C)C(CC)CSC
InChIInChI=1S/C12H29N3O2S2/c1-6-12(11-18-5)15(4)19(16,17)14(3)10-8-9-13-7-2/h12-13H,6-11H2,1-5H3
InChIKeyOZUOUGBAHQHLFK-UHFFFAOYSA-N
MW311.52 g/mol
LogP1.24
Rot. Bonds11

About N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine

N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine (PubChem CID 112667380) has the molecular formula C12H29N3O2S2 and a molecular weight of 311.52 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
PubChem CID112667380
Molecular FormulaC12H29N3O2S2
Molecular Weight311.52 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCCNCCCN(C)S(=O)(=O)N(C)C(CC)CSC
InChIInChI=1S/C12H29N3O2S2/c1-6-12(11-18-5)15(4)19(16,17)14(3)10-8-9-13-7-2/h12-13H,6-11H2,1-5H3
InChIKeyOZUOUGBAHQHLFK-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine 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

N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667469
N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667401
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
5-[2-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 115988529
N-ethyl-N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79489693
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
4-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)butane-1-sulfonamide
CID 114142289
1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
CID 112666974
3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
CID 112551530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine (CID 112667380) is N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine is CCNCCCN(C)S(=O)(=O)N(C)C(CC)CSC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine?
The InChIKey is OZUOUGBAHQHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S2/c1-6-12(11-18-5)15(4)19(16,17)14(3)10-8-9-13-7-2/h12-13H,6-11H2,1-5H3.
What are the key properties of N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine?
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine has a molecular weight of 311.52 g/mol, XLogP of 1.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 112667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).