methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate

C11H23NO4S — CID 64675159

IUPACmethyl 3-[4-(ethylamino)pentylsulfonyl]propanoate
SMILESCCNC(C)CCCS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-4-12-10(2)6-5-8-17(14,15)9-7-11(13)16-3/h10,12H,4-9H2,1-3H3
InChIKeyTVUUMHZJMFAZGW-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.74
Rot. Bonds9

About methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate

methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate (PubChem CID 64675159) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(ethylamino)pentylsulfonyl]propanoate
PubChem CID64675159
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Namemethyl 3-[4-(ethylamino)pentylsulfonyl]propanoate
SMILESCCNC(C)CCCS(=O)(=O)CCC(=O)OC
InChIInChI=1S/C11H23NO4S/c1-4-12-10(2)6-5-8-17(14,15)9-7-11(13)16-3/h10,12H,4-9H2,1-3H3
InChIKeyTVUUMHZJMFAZGW-UHFFFAOYSA-N
XLogP0.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
CID 102249368
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 3-[2-(3-bromobutylsulfonyl)ethylsulfonyl]propanoate
CID 90185854
methyl 3-(5-oxohexylsulfonyl)propanoate
CID 64636719
methyl 4-(hexan-2-ylsulfamoyl)butanoate
CID 62200961
N'-[1-(ethylamino)ethyl]-N-methylpropane-1,3-diamine;methyl 5-[3-(methylamino)propylamino]hexanoate
CID 91401807
methyl 3-(3-methoxy-3-oxopropyl)sulfonyl-2-methylpropanoate
CID 43617848
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
methyl 2-(4-aminopentylsulfonyl)acetate
CID 64675170
methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
CID 43617881
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate?
The IUPAC name of methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate (CID 64675159) is methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate.
What is the SMILES notation for methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate?
The canonical SMILES for methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate is CCNC(C)CCCS(=O)(=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate?
The InChIKey is TVUUMHZJMFAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-12-10(2)6-5-8-17(14,15)9-7-11(13)16-3/h10,12H,4-9H2,1-3H3.
What are the key properties of methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate?
methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate has a molecular weight of 265.37 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(ethylamino)pentylsulfonyl]propanoate is sourced from PubChem (CID 64675159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).