1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide

C9H19ClN2O2S — CID 63663943

IUPAC1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CCl)N1CCCCC1
InChIInChI=1S/C9H19ClN2O2S/c1-9(7-11-15(13,14)8-10)12-5-3-2-4-6-12/h9,11H,2-8H2,1H3
InChIKeyLCWOBYGLUQEXFX-UHFFFAOYSA-N
MW254.78 g/mol
LogP0.98
Rot. Bonds5

About 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide

1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 63663943) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID63663943
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)CCl)N1CCCCC1
InChIInChI=1S/C9H19ClN2O2S/c1-9(7-11-15(13,14)8-10)12-5-3-2-4-6-12/h9,11H,2-8H2,1H3
InChIKeyLCWOBYGLUQEXFX-UHFFFAOYSA-N
XLogP0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 50.98
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

1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
1-cyano-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 55207029
1-(2-aminophenyl)-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 62021095
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 113350724
1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
CID 106073122
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
CID 114384890
1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 61018075
N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 54903887
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide (CID 63663943) is 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide is CC(CNS(=O)(=O)CCl)N1CCCCC1.
What is the InChIKey of 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is LCWOBYGLUQEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2S/c1-9(7-11-15(13,14)8-10)12-5-3-2-4-6-12/h9,11H,2-8H2,1H3.
What are the key properties of 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide?
1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 254.78 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 63663943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).