N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride

C9H23ClN2O2S — CID 119985245

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C9H22N2O2S.ClH/c1-5-14(12,13)11-9(4,7-10)6-8(2)3;/h8,11H,5-7,10H2,1-4H3;1H
InChIKeyKFWDPOODDJZLGI-UHFFFAOYSA-N
MW258.81 g/mol
LogP1.11
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride (PubChem CID 119985245) has the molecular formula C9H23ClN2O2S and a molecular weight of 258.81 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
PubChem CID119985245
Molecular FormulaC9H23ClN2O2S
Molecular Weight258.81 g/mol
Exact Mass258.12
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C9H22N2O2S.ClH/c1-5-14(12,13)11-9(4,7-10)6-8(2)3;/h8,11H,5-7,10H2,1-4H3;1H
InChIKeyKFWDPOODDJZLGI-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.81
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylpentane-1-sulfonamide;hydrochloride
CID 119985236
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-(methylsulfamoyl)pentane-1,2-diamine
CID 114811263
1-amino-2,4-dimethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentane;hydrochloride
CID 119985049
ethyl 3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]propanoate
CID 115310020
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylmethanesulfonamide
CID 115309921
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylethanesulfonamide
CID 115310011
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride (CID 119985245) is N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride?
The InChIKey is KFWDPOODDJZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S.ClH/c1-5-14(12,13)11-9(4,7-10)6-8(2)3;/h8,11H,5-7,10H2,1-4H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride has a molecular weight of 258.81 g/mol, XLogP of 1.11, 6 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)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119985245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).