[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C17H22N2O5S — CID 7806939

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NC1CC1
InChIInChI=1S/C17H22N2O5S/c20-16(18-13-8-9-13)12-24-17(21)14-6-2-3-7-15(14)25(22,23)19-10-4-1-5-11-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,20)
InChIKeyNKHMHSCIMUOKBR-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.30
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 7806939) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID7806939
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NC1CC1
InChIInChI=1S/C17H22N2O5S/c20-16(18-13-8-9-13)12-24-17(21)14-6-2-3-7-15(14)25(22,23)19-10-4-1-5-11-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,20)
InChIKeyNKHMHSCIMUOKBR-UHFFFAOYSA-N
XLogP1.30
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511239
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 42970356
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2999971
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806934

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 7806939) is [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is NKHMHSCIMUOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-16(18-13-8-9-13)12-24-17(21)14-6-2-3-7-15(14)25(22,23)19-10-4-1-5-11-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 366.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7806939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).