N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride

C11H27ClN2O3S — CID 119983116

IUPACN-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)CCOC(C)C.Cl
InChIInChI=1S/C11H26N2O3S.ClH/c1-9(2)7-11(8-12)13-17(14,15)6-5-16-10(3)4;/h9-11,13H,5-8,12H2,1-4H3;1H
InChIKeyUTYVJDLOCNYKGD-UHFFFAOYSA-N
MW302.87 g/mol
LogP1.13
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride (PubChem CID 119983116) has the molecular formula C11H27ClN2O3S and a molecular weight of 302.87 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
PubChem CID119983116
Molecular FormulaC11H27ClN2O3S
Molecular Weight302.87 g/mol
Exact Mass302.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCC(C)CC(CN)NS(=O)(=O)CCOC(C)C.Cl
InChIInChI=1S/C11H26N2O3S.ClH/c1-9(2)7-11(8-12)13-17(14,15)6-5-16-10(3)4;/h9-11,13H,5-8,12H2,1-4H3;1H
InChIKeyUTYVJDLOCNYKGD-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
N-(1-bromo-4-methylpentan-2-yl)-2-ethoxyethanesulfonamide
CID 114297285
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide
CID 63765442
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 106181408
N-(1-chloro-3-phenylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79601129
N-(3-aminopropyl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide;hydrochloride
CID 119405243

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride (CID 119983116) is N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride is CC(C)CC(CN)NS(=O)(=O)CCOC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The InChIKey is UTYVJDLOCNYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S.ClH/c1-9(2)7-11(8-12)13-17(14,15)6-5-16-10(3)4;/h9-11,13H,5-8,12H2,1-4H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 119983116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).