N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine

C11H27N3O4S — CID 55004897

IUPACN'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCOCCN(C(C)COC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O4S/c1-11(10-18-4)14(8-9-17-3)19(15,16)13(2)7-5-6-12/h11H,5-10,12H2,1-4H3
InChIKeyPKLTVBCHPOVQPH-UHFFFAOYSA-N
MW297.42 g/mol
LogP-0.50
Rot. Bonds11

About N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 55004897) has the molecular formula C11H27N3O4S and a molecular weight of 297.42 g/mol. Its IUPAC name is N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID55004897
Molecular FormulaC11H27N3O4S
Molecular Weight297.42 g/mol
Exact Mass297.17
IUPAC NameN'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCOCCN(C(C)COC)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O4S/c1-11(10-18-4)14(8-9-17-3)19(15,16)13(2)7-5-6-12/h11H,5-10,12H2,1-4H3
InChIKeyPKLTVBCHPOVQPH-UHFFFAOYSA-N
XLogP-0.50
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 114803998
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CID 60768699
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CID 3285501
CID 3285501
CID 28783227
CID 28783227
CID 43136912
CID 43136912
CID 43136935
CID 43136935
CID 43136960
CID 43136960
CID 43606820
CID 43606820
CID 53506458
CID 53506458
CID 54946918
CID 54946918
CID 54951935
CID 54951935
CID 54951941
CID 54951941

Frequently Asked Questions

What is the IUPAC name of N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 55004897) is N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine is COCCN(C(C)COC)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is PKLTVBCHPOVQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O4S/c1-11(10-18-4)14(8-9-17-3)19(15,16)13(2)7-5-6-12/h11H,5-10,12H2,1-4H3.
What are the key properties of N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 297.42 g/mol, XLogP of -0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55004897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).