N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C12H29N3O2S — CID 54952614

IUPACN'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O2S/c1-5-12(6-2)11-15(7-3)18(16,17)14(4)10-8-9-13/h12H,5-11,13H2,1-4H3
InChIKeyBLXFBLTVKWJZKW-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.27
Rot. Bonds10

About N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 54952614) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID54952614
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC NameN'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCCC(CC)CN(CC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H29N3O2S/c1-5-12(6-2)11-15(7-3)18(16,17)14(4)10-8-9-13/h12H,5-11,13H2,1-4H3
InChIKeyBLXFBLTVKWJZKW-UHFFFAOYSA-N
XLogP1.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-ethylbutyl)ethanesulfonamide
CID 61437362
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424
N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 60764490
N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55002624
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
1-chloro-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 63663851
N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 78974166
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-dimethylacetamide
CID 54952507
3-[[3-(dimethylamino)propyl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 102998470
N'-(diethylsulfamoyl)-N'-phenylpropane-1,3-diamine
CID 43135973
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 43588630

Frequently Asked Questions

What is the IUPAC name of N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 54952614) is N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CCC(CC)CN(CC)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is BLXFBLTVKWJZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-5-12(6-2)11-15(7-3)18(16,17)14(4)10-8-9-13/h12H,5-11,13H2,1-4H3.
What are the key properties of N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 279.45 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[ethyl(2-ethylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 54952614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).