N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide

C11H25N3O3S — CID 119654183

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
SMILESCCS(=O)(=O)N(C)CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C11H25N3O3S/c1-6-18(16,17)14(5)7-10(15)13(4)9-11(2,3)8-12/h6-9,12H2,1-5H3
InChIKeyPQHLDGRATPEEAU-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.29
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide

N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide (PubChem CID 119654183) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
PubChem CID119654183
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
SMILESCCS(=O)(=O)N(C)CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C11H25N3O3S/c1-6-18(16,17)14(5)7-10(15)13(4)9-11(2,3)8-12/h6-9,12H2,1-5H3
InChIKeyPQHLDGRATPEEAU-UHFFFAOYSA-N
XLogP-0.29
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
CID 119652831
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-ethyl-N-methylacetamide
CID 79652071
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
CID 119655317
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide (CID 119654183) is N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide is CCS(=O)(=O)N(C)CC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide?
The InChIKey is PQHLDGRATPEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-6-18(16,17)14(5)7-10(15)13(4)9-11(2,3)8-12/h6-9,12H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide?
N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide has a molecular weight of 279.41 g/mol, XLogP of -0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 119654183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).