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

C14H24N2O2S — CID 115309921

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)9-14(3,11-15)16-19(17,18)10-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyPZSCNUPCBWXMKC-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.87
Rot. Bonds7

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

N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide (PubChem CID 115309921) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
PubChem CID115309921
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
SMILESCC(C)CC(C)(CN)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-12(2)9-14(3,11-15)16-19(17,18)10-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3
InChIKeyPZSCNUPCBWXMKC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
CID 119985245
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
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
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076
2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
CID 114811263
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119985312

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide (CID 115309921) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide is CC(C)CC(C)(CN)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide?
The InChIKey is PZSCNUPCBWXMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12(2)9-14(3,11-15)16-19(17,18)10-13-7-5-4-6-8-13/h4-8,12,16H,9-11,15H2,1-3H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.87, 7 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)-1-phenylmethanesulfonamide is sourced from PubChem (CID 115309921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).