N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide

C10H20N2O3S — CID 71684098

IUPACN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-3-16(14,15)11-9(2)10(13)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVTDKGULWQROTJE-VIFPVBQESA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds4

About N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide

N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide (PubChem CID 71684098) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide
PubChem CID71684098
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-3-16(14,15)11-9(2)10(13)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyVTDKGULWQROTJE-VIFPVBQESA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide;hydrochloride
CID 16188121
N-cyclopentyl-2-[4-(methylsulfonyl)piperazinyl]acetamide
CID 17376168
N-cyclohexyl-2-[4-(methylsulfonyl)piperazinyl]acetamide
CID 855511
N-(1-propan-2-ylsulfonylpiperidin-4-yl)propanamide
CID 44313539
N-(1-propan-2-ylsulfonylpiperidin-4-yl)acetamide
CID 44313540
N-(1-propanoylpiperidin-4-yl)propane-2-sulfonamide
CID 44313610
N-(1-acetylpiperidin-4-yl)propane-2-sulfonamide
CID 44313611
N-cyclohexyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 1442483
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]pentanamide
CID 45505491
N-(1-propanoylpiperidin-3-yl)methanesulfonamide
CID 47180684
2-[4-[(2-Propylsulfonylacetyl)amino]piperidin-1-yl]acetamide
CID 47378674
N-cycloheptyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 49611084

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide (CID 71684098) is N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide?
The InChIKey is VTDKGULWQROTJE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-16(14,15)11-9(2)10(13)12-7-5-4-6-8-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide?
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 71684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).