propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride

C12H26ClNO4S — CID 141091385

IUPACpropyl 3-(dipropylsulfamoyl)propanoate;hydrochloride
SMILESCCCOC(=O)CCS(=O)(=O)N(CCC)CCC.Cl
InChIInChI=1S/C12H25NO4S.ClH/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3;/h4-11H2,1-3H3;1H
InChIKeyVSPCRHIUPDOSCQ-UHFFFAOYSA-N
MW315.86 g/mol
LogP2.20
Rot. Bonds10

About propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride

propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride (PubChem CID 141091385) has the molecular formula C12H26ClNO4S and a molecular weight of 315.86 g/mol. Its IUPAC name is propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride.

Molecular Properties

Compound Namepropyl 3-(dipropylsulfamoyl)propanoate;hydrochloride
PubChem CID141091385
Molecular FormulaC12H26ClNO4S
Molecular Weight315.86 g/mol
Exact Mass315.13
IUPAC Namepropyl 3-(dipropylsulfamoyl)propanoate;hydrochloride
SMILESCCCOC(=O)CCS(=O)(=O)N(CCC)CCC.Cl
InChIInChI=1S/C12H25NO4S.ClH/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3;/h4-11H2,1-3H3;1H
InChIKeyVSPCRHIUPDOSCQ-UHFFFAOYSA-N
XLogP2.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.86
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride?
The IUPAC name of propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride (CID 141091385) is propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride.
What is the SMILES notation for propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride?
The canonical SMILES for propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride is CCCOC(=O)CCS(=O)(=O)N(CCC)CCC.Cl.
What is the InChIKey of propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride?
The InChIKey is VSPCRHIUPDOSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S.ClH/c1-4-8-13(9-5-2)18(15,16)11-7-12(14)17-10-6-3;/h4-11H2,1-3H3;1H.
What are the key properties of propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride?
propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride has a molecular weight of 315.86 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(dipropylsulfamoyl)propanoate;hydrochloride is sourced from PubChem (CID 141091385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).