3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide

C12H23ClN2O3S — CID 113411633

IUPAC3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H23ClN2O3S/c1-11(9-13)10-19(17,18)14-6-5-12(16)15-7-3-2-4-8-15/h11,14H,2-10H2,1H3
InChIKeyYYICVYWECKZMKN-UHFFFAOYSA-N
MW310.85 g/mol
LogP1.18
Rot. Bonds7

About 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide (PubChem CID 113411633) has the molecular formula C12H23ClN2O3S and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide
PubChem CID113411633
Molecular FormulaC12H23ClN2O3S
Molecular Weight310.85 g/mol
Exact Mass310.11
IUPAC Name3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C12H23ClN2O3S/c1-11(9-13)10-19(17,18)14-6-5-12(16)15-7-3-2-4-8-15/h11,14H,2-10H2,1H3
InChIKeyYYICVYWECKZMKN-UHFFFAOYSA-N
XLogP1.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 51.18
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-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
1-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 112705161
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide (CID 113411633) is 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is YYICVYWECKZMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O3S/c1-11(9-13)10-19(17,18)14-6-5-12(16)15-7-3-2-4-8-15/h11,14H,2-10H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 310.85 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 113411633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).