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

C7H13ClN2O3S — CID 127011592

IUPAC1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCC1NC(=O)CCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H13ClN2O3S/c1-5-6(2-3-7(11)9-5)10-14(12,13)4-8/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeyUELBDKGJZZQJLH-UHFFFAOYSA-N
MW240.71 g/mol
LogP-0.23
Rot. Bonds3

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

1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide (PubChem CID 127011592) has the molecular formula C7H13ClN2O3S and a molecular weight of 240.71 g/mol. Its IUPAC name is 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide
PubChem CID127011592
Molecular FormulaC7H13ClN2O3S
Molecular Weight240.71 g/mol
Exact Mass240.03
IUPAC Name1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide
SMILESCC1NC(=O)CCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H13ClN2O3S/c1-5-6(2-3-7(11)9-5)10-14(12,13)4-8/h5-6,10H,2-4H2,1H3,(H,9,11)
InChIKeyUELBDKGJZZQJLH-UHFFFAOYSA-N
XLogP-0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
5-(2-hydroxypropylamino)-6-methylpiperidin-2-one
CID 130684684
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
1-chloro-N-(2-methyl-1,1-dioxothiolan-3-yl)methanesulfonamide
CID 130710681
2-methyl-N-(2-methyl-6-oxopiperidin-3-yl)butanamide
CID 134565833
6-methyl-5-propylpiperidin-2-one
CID 176903708
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-chloromethanesulfonamide
CID 63666165
1-chloro-N-(8-oxabicyclo[3.2.1]octan-2-yl)methanesulfonamide
CID 130961479
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide (CID 127011592) is 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide is CC1NC(=O)CCC1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
The InChIKey is UELBDKGJZZQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O3S/c1-5-6(2-3-7(11)9-5)10-14(12,13)4-8/h5-6,10H,2-4H2,1H3,(H,9,11).
What are the key properties of 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide?
1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide has a molecular weight of 240.71 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-methyl-6-oxopiperidin-3-yl)methanesulfonamide is sourced from PubChem (CID 127011592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).