2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide

C14H26N2O3S — CID 127265943

IUPAC2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)CC12CCC(CC1)CC2
InChIInChI=1S/C14H26N2O3S/c1-3-15-13(17)11(2)16-20(18,19)10-14-7-4-12(5-8-14)6-9-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyLCKLNTJKQCPTNU-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.40
Rot. Bonds6

About 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide

2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide (PubChem CID 127265943) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide
PubChem CID127265943
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)CC12CCC(CC1)CC2
InChIInChI=1S/C14H26N2O3S/c1-3-15-13(17)11(2)16-20(18,19)10-14-7-4-12(5-8-14)6-9-14/h11-12,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyLCKLNTJKQCPTNU-UHFFFAOYSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 55035123
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 142632514
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
3-[1-bicyclo[2.2.2]octanylmethylsulfonyl(methyl)amino]propanoic acid
CID 122069256
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
2,2-dicyclohexyl-N-ethylacetamide
CID 71067645

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide?
The IUPAC name of 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide (CID 127265943) is 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)CC12CCC(CC1)CC2.
What is the InChIKey of 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide?
The InChIKey is LCKLNTJKQCPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-3-15-13(17)11(2)16-20(18,19)10-14-7-4-12(5-8-14)6-9-14/h11-12,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide?
2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide is sourced from PubChem (CID 127265943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).