2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide

C8H15ClN2O3S — CID 107652065

IUPAC2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CCCl)CCC1=O
InChIInChI=1S/C8H15ClN2O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6H2,1H3
InChIKeyDLYIKHAQFVMJPB-UHFFFAOYSA-N
MW254.74 g/mol
LogP-0.23
Rot. Bonds4

About 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide

2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide (PubChem CID 107652065) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
PubChem CID107652065
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CCCl)CCC1=O
InChIInChI=1S/C8H15ClN2O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6H2,1H3
InChIKeyDLYIKHAQFVMJPB-UHFFFAOYSA-N
XLogP-0.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclopropanesulfonamide
CID 124627568
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-(2-oxopiperidin-3-yl)ethanesulfonamide
CID 49457010
N-(2-oxopiperidin-3-yl)propane-2-sulfonamide
CID 49457011
N-(2-oxopiperidin-3-yl)butane-1-sulfonamide
CID 49457012
N-(2-oxopiperidin-3-yl)propane-1-sulfonamide
CID 49457014
2-Amino-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 54872724
N-[1-(2-aminopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 54873318
N-[1-(5-chloropentanoyl)piperidin-3-yl]methanesulfonamide
CID 54875626
N-[1-(3-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875917
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-[1-(5-chloropentanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide (CID 107652065) is 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide is CN1CC(NS(=O)(=O)CCCl)CCC1=O.
What is the InChIKey of 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The InChIKey is DLYIKHAQFVMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide has a molecular weight of 254.74 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 107652065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).