N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine

C12H28N4O2S — CID 105416138

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)C1(CN(C)S(=O)(=O)N(C)CCCN)CCC1
InChIInChI=1S/C12H28N4O2S/c1-14(2)12(7-5-8-12)11-16(4)19(17,18)15(3)10-6-9-13/h5-11,13H2,1-4H3
InChIKeyZAMWTXGHEMDJSZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.07
Rot. Bonds8

About N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 105416138) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID105416138
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(C)C1(CN(C)S(=O)(=O)N(C)CCCN)CCC1
InChIInChI=1S/C12H28N4O2S/c1-14(2)12(7-5-8-12)11-16(4)19(17,18)15(3)10-6-9-13/h5-11,13H2,1-4H3
InChIKeyZAMWTXGHEMDJSZ-UHFFFAOYSA-N
XLogP-0.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
7-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylheptanamide
CID 105417687
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105416124
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507
N'-methyl-N'-[methyl-[(4-methylphenyl)methyl]sulfamoyl]propane-1,3-diamine
CID 61456100
5-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-sulfonamide
CID 105421421
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 105421445
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperazine-1-sulfonamide
CID 105415384

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine (CID 105416138) is N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine is CN(C)C1(CN(C)S(=O)(=O)N(C)CCCN)CCC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is ZAMWTXGHEMDJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-14(2)12(7-5-8-12)11-16(4)19(17,18)15(3)10-6-9-13/h5-11,13H2,1-4H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 292.45 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl-methylsulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 105416138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).