N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide

C15H25NO2S — CID 110421112

IUPACN-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-13-7-5-8-14(11-13)12-19(17,18)16-10-6-9-15(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3
InChIKeyIZVDKDVQQOTIRD-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.24
Rot. Bonds6

About N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide

N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110421112) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID110421112
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCCCC(C)(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-13-7-5-8-14(11-13)12-19(17,18)16-10-6-9-15(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3
InChIKeyIZVDKDVQQOTIRD-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-(3-methylphenyl)methanesulfonamide
CID 110314205
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
CID 110287654
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344503
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 154769759

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide (CID 110421112) is N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCCCC(C)(C)C)c1.
What is the InChIKey of N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is IZVDKDVQQOTIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13-7-5-8-14(11-13)12-19(17,18)16-10-6-9-15(2,3)4/h5,7-8,11,16H,6,9-10,12H2,1-4H3.
What are the key properties of N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide?
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110421112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).