methyl 3-(2-propylpentylsulfamoylamino)propanoate

C12H26N2O4S — CID 25258362

IUPACmethyl 3-(2-propylpentylsulfamoylamino)propanoate
SMILESCCCC(CCC)CNS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-4-6-11(7-5-2)10-14-19(16,17)13-9-8-12(15)18-3/h11,13-14H,4-10H2,1-3H3
InChIKeyONAJCIVMFIGYOF-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.19
Rot. Bonds11

About methyl 3-(2-propylpentylsulfamoylamino)propanoate

methyl 3-(2-propylpentylsulfamoylamino)propanoate (PubChem CID 25258362) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is methyl 3-(2-propylpentylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-propylpentylsulfamoylamino)propanoate
PubChem CID25258362
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Namemethyl 3-(2-propylpentylsulfamoylamino)propanoate
SMILESCCCC(CCC)CNS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-4-6-11(7-5-2)10-14-19(16,17)13-9-8-12(15)18-3/h11,13-14H,4-10H2,1-3H3
InChIKeyONAJCIVMFIGYOF-UHFFFAOYSA-N
XLogP1.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
methyl 18-propylhenicosanoate
CID 546011
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
methyl 3-(2-methylpropylsulfonylamino)propanoate
CID 62733313
methyl 3-(2-phenylethylsulfamoylamino)propanoate
CID 127035857
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
2-ethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 114812909
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
methyl 3-[2-hydroxypentylsulfamoyl(methyl)amino]propanoate
CID 115754514
N-[2-(2-aminoethyl)pentyl]-2-methoxyethanesulfonamide
CID 106116359

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-propylpentylsulfamoylamino)propanoate?
The IUPAC name of methyl 3-(2-propylpentylsulfamoylamino)propanoate (CID 25258362) is methyl 3-(2-propylpentylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 3-(2-propylpentylsulfamoylamino)propanoate?
The canonical SMILES for methyl 3-(2-propylpentylsulfamoylamino)propanoate is CCCC(CCC)CNS(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(2-propylpentylsulfamoylamino)propanoate?
The InChIKey is ONAJCIVMFIGYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-4-6-11(7-5-2)10-14-19(16,17)13-9-8-12(15)18-3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of methyl 3-(2-propylpentylsulfamoylamino)propanoate?
methyl 3-(2-propylpentylsulfamoylamino)propanoate has a molecular weight of 294.42 g/mol, XLogP of 1.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-propylpentylsulfamoylamino)propanoate is sourced from PubChem (CID 25258362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).