ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate

C15H29N3O5S — CID 113135908

IUPACethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate
SMILESCCCN(CCC(=O)NC1CCN(C(=O)OCC)CC1)S(C)(=O)=O
InChIInChI=1S/C15H29N3O5S/c1-4-9-18(24(3,21)22)12-8-14(19)16-13-6-10-17(11-7-13)15(20)23-5-2/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeyLYEGEHCRQPQTPL-UHFFFAOYSA-N
MW363.48 g/mol
LogP0.79
Rot. Bonds8

About ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate (PubChem CID 113135908) has the molecular formula C15H29N3O5S and a molecular weight of 363.48 g/mol. Its IUPAC name is ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate
PubChem CID113135908
Molecular FormulaC15H29N3O5S
Molecular Weight363.48 g/mol
Exact Mass363.18
IUPAC Nameethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate
SMILESCCCN(CCC(=O)NC1CCN(C(=O)OCC)CC1)S(C)(=O)=O
InChIInChI=1S/C15H29N3O5S/c1-4-9-18(24(3,21)22)12-8-14(19)16-13-6-10-17(11-7-13)15(20)23-5-2/h13H,4-12H2,1-3H3,(H,16,19)
InChIKeyLYEGEHCRQPQTPL-UHFFFAOYSA-N
XLogP0.79
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate (CID 113135908) is ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate is CCCN(CCC(=O)NC1CCN(C(=O)OCC)CC1)S(C)(=O)=O.
What is the InChIKey of ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate?
The InChIKey is LYEGEHCRQPQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5S/c1-4-9-18(24(3,21)22)12-8-14(19)16-13-6-10-17(11-7-13)15(20)23-5-2/h13H,4-12H2,1-3H3,(H,16,19).
What are the key properties of ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate has a molecular weight of 363.48 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[methylsulfonyl(propyl)amino]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113135908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).