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

C13H30ClN3O3S — CID 119600368

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H29N3O3S.ClH/c1-6-16(7-2)20(18,19)9-12(17)15-13(5,10-14)8-11(3)4;/h11H,6-10,14H2,1-5H3,(H,15,17);1H
InChIKeyUCDRMJONYCLNBH-UHFFFAOYSA-N
MW343.92 g/mol
LogP0.96
Rot. Bonds9

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride (PubChem CID 119600368) has the molecular formula C13H30ClN3O3S and a molecular weight of 343.92 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
PubChem CID119600368
Molecular FormulaC13H30ClN3O3S
Molecular Weight343.92 g/mol
Exact Mass343.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)CC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H29N3O3S.ClH/c1-6-16(7-2)20(18,19)9-12(17)15-13(5,10-14)8-11(3)4;/h11H,6-10,14H2,1-5H3,(H,15,17);1H
InChIKeyUCDRMJONYCLNBH-UHFFFAOYSA-N
XLogP0.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.92
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
CID 119598032
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
CID 119599438
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
N-(1-amino-2,4-dimethylpentan-2-yl)-3-cyclopentylsulfonylpropanamide;hydrochloride
CID 119599815
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)ethanesulfonamide;hydrochloride
CID 119985245

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride (CID 119600368) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride is CCN(CC)S(=O)(=O)CC(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
The InChIKey is UCDRMJONYCLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S.ClH/c1-6-16(7-2)20(18,19)9-12(17)15-13(5,10-14)8-11(3)4;/h11H,6-10,14H2,1-5H3,(H,15,17);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride has a molecular weight of 343.92 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119600368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).