N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide

C15H25NO2S — CID 27210808

IUPACN-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-11(2)15(12(3)4)16-19(17,18)10-14-8-6-7-13(5)9-14/h6-9,11-12,15-16H,10H2,1-5H3
InChIKeyDRMIZYRUCPKZDK-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.10
Rot. Bonds6

About N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide

N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 27210808) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID27210808
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-11(2)15(12(3)4)16-19(17,18)10-14-8-6-7-13(5)9-14/h6-9,11-12,15-16H,10H2,1-5H3
InChIKeyDRMIZYRUCPKZDK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-(2,4-dimethylpentan-3-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92673912
N-[1-(furan-3-yl)propan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 121127099
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-1-(3-methylphenyl)methanesulfonamide
CID 110349139
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-(3-methylphenyl)-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9186143
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 133230316
(2S)-3-(4-hydroxyphenyl)-2-[(3-methylphenyl)methylsulfonylamino]propanoic acid
CID 167978342
1-(3-bromophenyl)-N-(3-methylbutan-2-yl)methanesulfonamide
CID 133250176
1-(3-bromophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 100572279
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide (CID 27210808) is N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NC(C(C)C)C(C)C)c1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is DRMIZYRUCPKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)15(12(3)4)16-19(17,18)10-14-8-6-7-13(5)9-14/h6-9,11-12,15-16H,10H2,1-5H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide?
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 27210808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).