ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate

C15H27N3O5S — CID 113067911

IUPACethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNC(=O)C2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-9-6-13(7-10-17)18(24(2,21)22)11-8-16-14(19)12-4-5-12/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeySVEDLJSWOKZFTK-UHFFFAOYSA-N
MW361.46 g/mol
LogP0.40
Rot. Bonds7

About ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate

ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate (PubChem CID 113067911) has the molecular formula C15H27N3O5S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
PubChem CID113067911
Molecular FormulaC15H27N3O5S
Molecular Weight361.46 g/mol
Exact Mass361.17
IUPAC Nameethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCNC(=O)C2CC2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H27N3O5S/c1-3-23-15(20)17-9-6-13(7-10-17)18(24(2,21)22)11-8-16-14(19)12-4-5-12/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeySVEDLJSWOKZFTK-UHFFFAOYSA-N
XLogP0.40
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2-ethylbutanoylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate
CID 113067916
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]cyclopropanecarboxamide
CID 113065794
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152678
ethyl 4-[methylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 113152648
ethyl 4-[2-(2-methylpropanoylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 31011883
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152680
ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056358
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate (CID 113067911) is ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCNC(=O)C2CC2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate?
The InChIKey is SVEDLJSWOKZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5S/c1-3-23-15(20)17-9-6-13(7-10-17)18(24(2,21)22)11-8-16-14(19)12-4-5-12/h12-13H,3-11H2,1-2H3,(H,16,19).
What are the key properties of ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate?
ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate has a molecular weight of 361.46 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclopropanecarbonylamino)ethyl-methylsulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113067911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).