N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide

C14H24N2O2S — CID 106357503

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-11-7-5-6-8-12(11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3
InChIKeyJAERNKHDGVUCRO-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.04
Rot. Bonds5

About N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide

N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide (PubChem CID 106357503) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
PubChem CID106357503
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CCN)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-11-7-5-6-8-12(11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3
InChIKeyJAERNKHDGVUCRO-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106357466
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methylbenzenesulfonamide
CID 106357500
N-[(2S)-6-amino-1-oxohexan-2-yl]-2-methylbenzenesulfonamide
CID 173369757
N-(1-chloro-4-methylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106356413
N-(1-amino-4,4-dimethylpentan-3-yl)-4-propylbenzenesulfonamide
CID 106357501
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
4-amino-2-(2-methylphenyl)sulfonylbutanoic acid
CID 64693402
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
(2R)-3-hydroxy-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 80750989
2-methyl-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898671
N'-hydroxy-3-[(2-methylphenyl)sulfonylamino]butanimidamide
CID 77077329

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide (CID 106357503) is N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC(CCN)C(C)(C)C.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is JAERNKHDGVUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-7-5-6-8-12(11)19(17,18)16-13(9-10-15)14(2,3)4/h5-8,13,16H,9-10,15H2,1-4H3.
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106357503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).