[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

C17H22N2O5S — CID 2511239

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NC1CC1
InChIInChI=1S/C17H22N2O5S/c20-16(18-14-7-8-14)12-24-17(21)13-5-4-6-15(11-13)25(22,23)19-9-2-1-3-10-19/h4-6,11,14H,1-3,7-10,12H2,(H,18,20)
InChIKeyYTFIXJTZRPBROW-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.30
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2511239) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
PubChem CID2511239
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NC1CC1
InChIInChI=1S/C17H22N2O5S/c20-16(18-14-7-8-14)12-24-17(21)13-5-4-6-15(11-13)25(22,23)19-9-2-1-3-10-19/h4-6,11,14H,1-3,7-10,12H2,(H,18,20)
InChIKeyYTFIXJTZRPBROW-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-(ethylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511017
[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-oxo-2-(propylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545037
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4782972
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 29141768
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate
CID 7981435
[2-(cyclohexylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551475
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081447
[2-oxo-2-(pentylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 9081458

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (CID 2511239) is [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is YTFIXJTZRPBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-16(18-14-7-8-14)12-24-17(21)13-5-4-6-15(11-13)25(22,23)19-9-2-1-3-10-19/h4-6,11,14H,1-3,7-10,12H2,(H,18,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-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] 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).