4-oxo-2-(propan-2-ylsulfonylamino)pentanamide

C8H16N2O4S — CID 122663039

IUPAC4-oxo-2-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(=O)CC(NS(=O)(=O)C(C)C)C(N)=O
InChIInChI=1S/C8H16N2O4S/c1-5(2)15(13,14)10-7(8(9)12)4-6(3)11/h5,7,10H,4H2,1-3H3,(H2,9,12)
InChIKeyJUEFHPBQUKKGKM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.85
Rot. Bonds6

About 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide

4-oxo-2-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 122663039) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound Name4-oxo-2-(propan-2-ylsulfonylamino)pentanamide
PubChem CID122663039
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name4-oxo-2-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(=O)CC(NS(=O)(=O)C(C)C)C(N)=O
InChIInChI=1S/C8H16N2O4S/c1-5(2)15(13,14)10-7(8(9)12)4-6(3)11/h5,7,10H,4H2,1-3H3,(H2,9,12)
InChIKeyJUEFHPBQUKKGKM-UHFFFAOYSA-N
XLogP-0.85
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-oxo-3-(propan-2-ylsulfonylamino)pentanamide
CID 122663018
(2S)-4-amino-4-oxo-2-(propan-2-ylsulfonylamino)butanoic acid
CID 63715580
2-(propan-2-ylsulfonylamino)butanethioamide
CID 61122844
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
CID 122663020
(2R)-2-methyl-4-oxopentanehydrazide
CID 166884818
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
N-(1-hydroxypropan-2-yl)propane-2-sulfonamide
CID 58551854
(2S)-2-methyl-3-methylsulfonylpropanamide
CID 57086977
3-(2-oxopropylamino)hexane-2,5-dione
CID 139449466
methyl 3-methyl-2-(propan-2-ylsulfonylamino)pentanoate
CID 64585319
N-propan-2-ylsulfonylacetamide
CID 18730103

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide (CID 122663039) is 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide is CC(=O)CC(NS(=O)(=O)C(C)C)C(N)=O.
What is the InChIKey of 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is JUEFHPBQUKKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-5(2)15(13,14)10-7(8(9)12)4-6(3)11/h5,7,10H,4H2,1-3H3,(H2,9,12).
What are the key properties of 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide?
4-oxo-2-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 236.29 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 122663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).