N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C12H25ClN2O2S — CID 63396547

IUPACN-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25ClN2O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10H2,1-3H3
InChIKeyPFCWYOLBYJGKPP-UHFFFAOYSA-N
MW296.86 g/mol
LogP2.44
Rot. Bonds6

About N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 63396547) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID63396547
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC NameN-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25ClN2O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10H2,1-3H3
InChIKeyPFCWYOLBYJGKPP-UHFFFAOYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 54999140
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
CID 55186312
(2R)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301386
1-[2-(3-chloropropyl)pyrrolidin-1-yl]sulfonyl-2-methylpiperidine
CID 63400591
(2S)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301387
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
(2S)-2-methylpiperidine-1-sulfonyl chloride
CID 98117610
N-(3-chloropropyl)-N-propan-2-ylcyclopropanesulfonamide
CID 64552243

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 63396547) is N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)N(CCCCl)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is PFCWYOLBYJGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 296.86 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 63396547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).