N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide

C14H24N2O2S — CID 119989766

IUPACN-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-14(15,5-2)11-16-19(17,18)10-13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyNVHYSKWOCUVGRV-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.93
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide

N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide (PubChem CID 119989766) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
PubChem CID119989766
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O2S/c1-4-14(15,5-2)11-16-19(17,18)10-13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyNVHYSKWOCUVGRV-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 71788801
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide (CID 119989766) is N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide is CCC(N)(CC)CNS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is NVHYSKWOCUVGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(15,5-2)11-16-19(17,18)10-13-8-6-7-12(3)9-13/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide?
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 119989766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).