methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate

C12H26N2O4S — CID 103187968

IUPACmethyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
SMILESCCN(C(C)CN(C)C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-6-14(11(2)10-13(3)4)19(16,17)9-7-8-12(15)18-5/h11H,6-10H2,1-5H3
InChIKeyCZXSYNUJIUMYSQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.54
Rot. Bonds9

About methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate

methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate (PubChem CID 103187968) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
PubChem CID103187968
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Namemethyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
SMILESCCN(C(C)CN(C)C)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C12H26N2O4S/c1-6-14(11(2)10-13(3)4)19(16,17)9-7-8-12(15)18-5/h11H,6-10H2,1-5H3
InChIKeyCZXSYNUJIUMYSQ-UHFFFAOYSA-N
XLogP0.54
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate (CID 103187968) is methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate is CCN(C(C)CN(C)C)S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate?
The InChIKey is CZXSYNUJIUMYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-6-14(11(2)10-13(3)4)19(16,17)9-7-8-12(15)18-5/h11H,6-10H2,1-5H3.
What are the key properties of methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate?
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate has a molecular weight of 294.42 g/mol, XLogP of 0.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate is sourced from PubChem (CID 103187968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).