N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide

C11H22ClNO3S — CID 106156757

IUPACN-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CCl)CCCNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H22ClNO3S/c1-9(8-12)6-5-7-13-10(14)11(2,3)17(4,15)16/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyUVMJMMIQGUEGSJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.58
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide

N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 106156757) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID106156757
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(CCl)CCCNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H22ClNO3S/c1-9(8-12)6-5-7-13-10(14)11(2,3)17(4,15)16/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyUVMJMMIQGUEGSJ-UHFFFAOYSA-N
XLogP1.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.58
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

N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106129452
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(1-chloro-3-methylbutan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 114305435
N-(5-chloro-4-methylpentyl)-3-methylpentanamide
CID 106157142
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
CID 103512686
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
N-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833
N-(5-chloro-4-methylpentyl)-2,6-dihydroxybenzamide
CID 106157251
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
5-tert-butylsulfonyl-1-chloro-2-methylpentane
CID 106732552
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide (CID 106156757) is N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide is CC(CCl)CCCNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is UVMJMMIQGUEGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-9(8-12)6-5-7-13-10(14)11(2,3)17(4,15)16/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide?
N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 283.82 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 106156757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).