N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide

C13H26N2O3S — CID 119655317

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
SMILESCN(CC(C)(C)CN)C(=O)CC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(2,8-14)9-15(3)11(16)7-13(5-6-13)10-19(4,17)18/h5-10,14H2,1-4H3
InChIKeyYEXRIDYDVWKDTL-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.64
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide (PubChem CID 119655317) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
PubChem CID119655317
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
SMILESCN(CC(C)(C)CN)C(=O)CC1(CS(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-12(2,8-14)9-15(3)11(16)7-13(5-6-13)10-19(4,17)18/h5-10,14H2,1-4H3
InChIKeyYEXRIDYDVWKDTL-UHFFFAOYSA-N
XLogP0.64
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
CID 119654183
N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
CID 119652831
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
N-(3-amino-2,2-dimethylpropyl)-2-cyclobutyl-N-methylacetamide
CID 103807677
1-(3-amino-2,2-dimethylpropyl)-1,3,3-trimethylurea
CID 79652129
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119655780
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 119653106

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide (CID 119655317) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide is CN(CC(C)(C)CN)C(=O)CC1(CS(C)(=O)=O)CC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide?
The InChIKey is YEXRIDYDVWKDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-12(2,8-14)9-15(3)11(16)7-13(5-6-13)10-19(4,17)18/h5-10,14H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 0.64, 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)-N-methyl-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 119655317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).