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

C12H26N2O3S — CID 119597794

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-6-18(16,17)8-11(15)14-12(4,9-13)7-10(2)3/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyCEYZLNWAJABKHW-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.69
Rot. Bonds8

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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide (PubChem CID 119597794) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
PubChem CID119597794
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C12H26N2O3S/c1-5-6-18(16,17)8-11(15)14-12(4,9-13)7-10(2)3/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyCEYZLNWAJABKHW-UHFFFAOYSA-N
XLogP0.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2-methylpropan-2-yl)-2-propylsulfonylacetamide;hydrochloride
CID 119521846
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
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
2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
CID 119599438
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434
N-(1-amino-2,4-dimethylpentan-2-yl)-2-cyclobutylacetamide
CID 103807183

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide (CID 119597794) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide?
The InChIKey is CEYZLNWAJABKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-6-18(16,17)8-11(15)14-12(4,9-13)7-10(2)3/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide has a molecular weight of 278.42 g/mol, XLogP of 0.69, 8 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-propylsulfonylacetamide is sourced from PubChem (CID 119597794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).