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

C10H25N3O2S2 — CID 112667401

IUPACN,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCNCCCN(C)S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C10H25N3O2S2/c1-10(9-16-5)13(4)17(14,15)12(3)8-6-7-11-2/h10-11H,6-9H2,1-5H3
InChIKeyIYUGGLPCXPSGEK-UHFFFAOYSA-N
MW283.46 g/mol
LogP0.46
Rot. Bonds9

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

N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine (PubChem CID 112667401) has the molecular formula C10H25N3O2S2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
PubChem CID112667401
Molecular FormulaC10H25N3O2S2
Molecular Weight283.46 g/mol
Exact Mass283.14
IUPAC NameN,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCNCCCN(C)S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C10H25N3O2S2/c1-10(9-16-5)13(4)17(14,15)12(3)8-6-7-11-2/h10-11H,6-9H2,1-5H3
InChIKeyIYUGGLPCXPSGEK-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 50.46
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-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667469
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667380
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
CID 107402874
1-N,2-N-dimethyl-2-N-(1-methylsulfanylpropan-2-yl)propane-1,2-diamine
CID 112665854
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
N-ethyl-N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79489693
2-N-methyl-2-N-[methyl(propyl)sulfamoyl]propane-1,2-diamine;hydrochloride
CID 119982402

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine (CID 112667401) is N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine is CNCCCN(C)S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
The InChIKey is IYUGGLPCXPSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S2/c1-10(9-16-5)13(4)17(14,15)12(3)8-6-7-11-2/h10-11H,6-9H2,1-5H3.
What are the key properties of N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine?
N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine has a molecular weight of 283.46 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 112667401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).