1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide

C11H21ClN2O3S — CID 116814717

IUPAC1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C11H21ClN2O3S/c1-13-11(15)10-4-7-14(8-5-10)18(16,17)9-3-2-6-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyRDNUTBGBDXLJRS-UHFFFAOYSA-N
MW296.82 g/mol
LogP0.79
Rot. Bonds6

About 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide

1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 116814717) has the molecular formula C11H21ClN2O3S and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
PubChem CID116814717
Molecular FormulaC11H21ClN2O3S
Molecular Weight296.82 g/mol
Exact Mass296.10
IUPAC Name1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)CCCCCl)CC1
InChIInChI=1S/C11H21ClN2O3S/c1-13-11(15)10-4-7-14(8-5-10)18(16,17)9-3-2-6-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyRDNUTBGBDXLJRS-UHFFFAOYSA-N
XLogP0.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
N-[1-(3-chloropropylsulfonyl)piperidin-4-yl]-2-methoxyacetamide
CID 54877232
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
ethyl 1-(2-chloroethylsulfonyl)piperidine-4-carboxylate
CID 107650934
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
3-[4-(ethylcarbamoyl)piperidin-1-yl]sulfonylpropanoic acid
CID 60950734
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721
N-[[1-(4-chlorobutylsulfonyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 116815452
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide (CID 116814717) is 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)CCCCCl)CC1.
What is the InChIKey of 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is RDNUTBGBDXLJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O3S/c1-13-11(15)10-4-7-14(8-5-10)18(16,17)9-3-2-6-12/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide?
1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 296.82 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutylsulfonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 116814717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).