N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide

C13H28N2O3S — CID 64850570

IUPACN-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCOC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C
InChIInChI=1S/C13H28N2O3S/c1-7-18-11-8-10(13(11,4)5)14-9-12(2,3)15-19(6,16)17/h10-11,14-15H,7-9H2,1-6H3
InChIKeyYWYVHPRQHWGGON-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.11
Rot. Bonds7

About N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 64850570) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID64850570
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCOC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C
InChIInChI=1S/C13H28N2O3S/c1-7-18-11-8-10(13(11,4)5)14-9-12(2,3)15-19(6,16)17/h10-11,14-15H,7-9H2,1-6H3
InChIKeyYWYVHPRQHWGGON-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 64850336
3-ethoxy-2,2-dimethyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
CID 64850357
N-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethyl]methanesulfonamide
CID 64850583
N-[1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64850603
2-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]ethanesulfonamide
CID 64850980
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide
CID 64851155
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-methylsulfonylpiperidin-4-amine
CID 64851324
3-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propane-1-sulfonamide
CID 64851771
N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propyl]-N-ethylmethanesulfonamide
CID 64851926
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-ethylsulfonylpiperidin-4-amine
CID 64852873
N-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethyl]methanesulfonamide
CID 64853066
N-[1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64862962

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 64850570) is N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCOC1CC(NCC(C)(C)NS(C)(=O)=O)C1(C)C.
What is the InChIKey of N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is YWYVHPRQHWGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-7-18-11-8-10(13(11,4)5)14-9-12(2,3)15-19(6,16)17/h10-11,14-15H,7-9H2,1-6H3.
What are the key properties of N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 64850570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).