ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate

C14H28N2O4S — CID 79702626

IUPACethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CCC(=O)OCC
InChIInChI=1S/C14H28N2O4S/c1-3-10-16(12-13-5-8-15-9-6-13)21(18,19)11-7-14(17)20-4-2/h13,15H,3-12H2,1-2H3
InChIKeyLWUZCVPEUDUSPV-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.98
Rot. Bonds9

About ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate

ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate (PubChem CID 79702626) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
PubChem CID79702626
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Nameethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate
SMILESCCCN(CC1CCNCC1)S(=O)(=O)CCC(=O)OCC
InChIInChI=1S/C14H28N2O4S/c1-3-10-16(12-13-5-8-15-9-6-13)21(18,19)11-7-14(17)20-4-2/h13,15H,3-12H2,1-2H3
InChIKeyLWUZCVPEUDUSPV-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
ethyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]propanoate
CID 113334772
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
CID 114465117

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate (CID 79702626) is ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate is CCCN(CC1CCNCC1)S(=O)(=O)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate?
The InChIKey is LWUZCVPEUDUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-3-10-16(12-13-5-8-15-9-6-13)21(18,19)11-7-14(17)20-4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate?
ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate has a molecular weight of 320.46 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[piperidin-4-ylmethyl(propyl)sulfamoyl]propanoate is sourced from PubChem (CID 79702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).