N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C12H27N3O2S — CID 78974166

IUPACN'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)CCN(C1CC1)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O2S/c1-11(2)7-10-15(12-5-6-12)18(16,17)14(3)9-4-8-13/h11-12H,4-10,13H2,1-3H3
InChIKeyLYPUQYLFVJGZBU-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.02
Rot. Bonds9

About N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 78974166) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID78974166
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCC(C)CCN(C1CC1)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O2S/c1-11(2)7-10-15(12-5-6-12)18(16,17)14(3)9-4-8-13/h11-12H,4-10,13H2,1-3H3
InChIKeyLYPUQYLFVJGZBU-UHFFFAOYSA-N
XLogP1.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
CID 61455531
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380
1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 79013643
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
N'-cycloheptyl-N'-(dimethylsulfamoyl)propane-1,3-diamine
CID 43137026
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 55242943
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
CID 119292359
N'-cyclopentyl-N'-(dimethylsulfamoyl)ethane-1,2-diamine
CID 63766177
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410

Frequently Asked Questions

What is the IUPAC name of N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 78974166) is N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CC(C)CCN(C1CC1)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is LYPUQYLFVJGZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)7-10-15(12-5-6-12)18(16,17)14(3)9-4-8-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 277.43 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclopropyl(3-methylbutyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 78974166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).