N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C10H23N3O2S — CID 62862022

IUPACN'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C10H23N3O2S/c1-12(8-4-7-11)16(14,15)13(2)9-10-5-3-6-10/h10H,3-9,11H2,1-2H3
InChIKeyNVPCFRFQJJWMJU-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.24
Rot. Bonds7

About N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 62862022) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID62862022
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C10H23N3O2S/c1-12(8-4-7-11)16(14,15)13(2)9-10-5-3-6-10/h10H,3-9,11H2,1-2H3
InChIKeyNVPCFRFQJJWMJU-UHFFFAOYSA-N
XLogP0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 62862022) is N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CN(CCCN)S(=O)(=O)N(C)CC1CCC1.
What is the InChIKey of N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is NVPCFRFQJJWMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-12(8-4-7-11)16(14,15)13(2)9-10-5-3-6-10/h10H,3-9,11H2,1-2H3.
What are the key properties of N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 249.38 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclobutylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62862022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).