N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide

C11H23ClN2O2S — CID 107158249

IUPACN-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)8-11(12)9-13-17(15,16)14-6-4-3-5-7-14/h10-11,13H,3-9H2,1-2H3
InChIKeyYTIIJEHWCPWKPC-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.96
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide

N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide (PubChem CID 107158249) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
PubChem CID107158249
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
SMILESCC(C)CC(Cl)CNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)8-11(12)9-13-17(15,16)14-6-4-3-5-7-14/h10-11,13H,3-9H2,1-2H3
InChIKeyYTIIJEHWCPWKPC-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropropyl)pyrrolidine-1-sulfonamide
CID 65033458
N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-1-sulfonamide
CID 102912990
N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-1-sulfonamide
CID 134017896
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656
N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
CID 65031845
N-[2-methyl-3-(methylamino)propyl]pyrrolidine-1-sulfonamide
CID 115302890
N-(3-amino-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 62667987
N-(4-hydroxy-2-methylbutyl)azepane-1-sulfonamide
CID 66107139
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
N-ethylazepane-1-sulfonamide
CID 43213421
N-(4-amino-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090218
N-[2-(2-hydroxyethyl)pentyl]azepane-1-sulfonamide
CID 103836404

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide (CID 107158249) is N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide is CC(C)CC(Cl)CNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide?
The InChIKey is YTIIJEHWCPWKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-10(2)8-11(12)9-13-17(15,16)14-6-4-3-5-7-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide?
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide has a molecular weight of 282.84 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 107158249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).