N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide

C15H31NO3S — CID 70799435

IUPACN-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
SMILESCC(OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1)C(C)(C)C
InChIInChI=1S/C15H31NO3S/c1-12(13(2,3)4)19-15(9-10-15)11-16(14(5,6)7)20(8,17)18/h12H,9-11H2,1-8H3
InChIKeyWQKQSGPSLGRIGD-UHFFFAOYSA-N
MW305.48 g/mol
LogP3.03
Rot. Bonds5

About N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide

N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide (PubChem CID 70799435) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
PubChem CID70799435
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC NameN-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
SMILESCC(OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1)C(C)(C)C
InChIInChI=1S/C15H31NO3S/c1-12(13(2,3)4)19-15(9-10-15)11-16(14(5,6)7)20(8,17)18/h12H,9-11H2,1-8H3
InChIKeyWQKQSGPSLGRIGD-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
N-tert-butyl-N-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]oxy-3-[methyl(methylidene)-λ4-sulfanyl]propyl]methanesulfonamide
CID 88980591
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] hydrogen sulfate
CID 88980989
N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
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-(2,5-dihydropyrrol-1-yl)-3-(3,3-dimethylbutan-2-yloxy)propan-2-yl]methanesulfonamide
CID 70799788
N-tert-butyl-N-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]oxy-3-(oxan-4-yloxy)propyl]methanesulfonamide
CID 70799455
(2S)-3-[tert-butyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-[(2R)-3,3-dimethylbutan-2-yl]oxypropan-1-ol
CID 157332725
N-tert-butyl-N-[(2S)-2-(3,3-dimethylbutan-2-yloxy)-3-[(3R)-oxolan-3-yl]oxypropyl]methanesulfonamide
CID 70800089
N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
CID 88980561

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide (CID 70799435) is N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide is CC(OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is WQKQSGPSLGRIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-12(13(2,3)4)19-15(9-10-15)11-16(14(5,6)7)20(8,17)18/h12H,9-11H2,1-8H3.
What are the key properties of N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide?
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 305.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 70799435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).