N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide

C16H33NO4S — CID 89118236

IUPACN-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide
SMILESCC(=O)CC(COC(C)C(C)(C)C)N(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H33NO4S/c1-12(18)10-14(11-21-13(2)15(3,4)5)17(16(6,7)8)22(9,19)20/h13-14H,10-11H2,1-9H3
InChIKeyRLDZEFFEJIFLKU-UHFFFAOYSA-N
MW335.51 g/mol
LogP2.85
Rot. Bonds7

About N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide

N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide (PubChem CID 89118236) has the molecular formula C16H33NO4S and a molecular weight of 335.51 g/mol. Its IUPAC name is N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide
PubChem CID89118236
Molecular FormulaC16H33NO4S
Molecular Weight335.51 g/mol
Exact Mass335.21
IUPAC NameN-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide
SMILESCC(=O)CC(COC(C)C(C)(C)C)N(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H33NO4S/c1-12(18)10-14(11-21-13(2)15(3,4)5)17(16(6,7)8)22(9,19)20/h13-14H,10-11H2,1-9H3
InChIKeyRLDZEFFEJIFLKU-UHFFFAOYSA-N
XLogP2.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N-[1-(2,5-dihydropyrrol-1-yl)-3-(3,3-dimethylbutan-2-yloxy)propan-2-yl]methanesulfonamide
CID 70799788
N-tert-butyl-N-(1-hydroxy-5,5-dimethylhexan-2-yl)methanesulfonamide
CID 88980840
4-(3,3-dimethylbutan-2-yloxy)-2,3-dimethylbutan-2-ol
CID 57304463
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2-methoxyethoxy)propyl]methanesulfonamide
CID 88980982
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-aminoacetate
CID 88980895
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
CID 70799435
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] hydrogen sulfate
CID 88980989
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] (2S)-2-amino-3-methoxypropanoate
CID 88980625
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-(methylamino)acetate
CID 88980896
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-(dimethylamino)acetate;hydrochloride
CID 158595512
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
3,3-dimethylbutan-2-one;4-methylpentan-2-one
CID 87718368

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide (CID 89118236) is N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide is CC(=O)CC(COC(C)C(C)(C)C)N(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide?
The InChIKey is RLDZEFFEJIFLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4S/c1-12(18)10-14(11-21-13(2)15(3,4)5)17(16(6,7)8)22(9,19)20/h13-14H,10-11H2,1-9H3.
What are the key properties of N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide?
N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide has a molecular weight of 335.51 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[1-(3,3-dimethylbutan-2-yloxy)-4-oxopentan-2-yl]methanesulfonamide is sourced from PubChem (CID 89118236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).