N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide

C15H26N2O2S — CID 115310011

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(2)11-15(3,12-16)17-20(18,19)10-9-14-7-5-4-6-8-14/h4-8,13,17H,9-12,16H2,1-3H3
InChIKeyGBGFCEGVGUCSOE-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.91
Rot. Bonds8

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide (PubChem CID 115310011) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
PubChem CID115310011
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-13(2)11-15(3,12-16)17-20(18,19)10-9-14-7-5-4-6-8-14/h4-8,13,17H,9-12,16H2,1-3H3
InChIKeyGBGFCEGVGUCSOE-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
CID 119985245
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 119985196
N-[(2R)-1-amino-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 97237986
1-amino-2,4-dimethyl-2-(sulfamoylamino)pentane
CID 114959433
ethyl 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]propanoate
CID 115310020

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide (CID 115310011) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide?
The InChIKey is GBGFCEGVGUCSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13(2)11-15(3,12-16)17-20(18,19)10-9-14-7-5-4-6-8-14/h4-8,13,17H,9-12,16H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 115310011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).