N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane

C16H39NO2S — CID 159631086

IUPACN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
SMILESC.C.C.CC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S.3CH4/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16;;;/h10-11H,8-9H2,1-7H3;3*1H4
InChIKeyMPDCZHLULLAQNW-UHFFFAOYSA-N
MW309.56 g/mol
LogP4.64
Rot. Bonds3

About N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane

N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane (PubChem CID 159631086) has the molecular formula C16H39NO2S and a molecular weight of 309.56 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
PubChem CID159631086
Molecular FormulaC16H39NO2S
Molecular Weight309.56 g/mol
Exact Mass309.27
IUPAC NameN-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
SMILESC.C.C.CC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C13H27NO2S.3CH4/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16;;;/h10-11H,8-9H2,1-7H3;3*1H4
InChIKeyMPDCZHLULLAQNW-UHFFFAOYSA-N
XLogP4.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 70799705
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
N-[(3-tert-butyl-2-methylcyclobutyl)methyl]-N-methylpropan-2-amine
CID 138615187
1-tert-butyl-2-(fluoromethyl)cyclopropane
CID 176792850
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113152828
4-(2-tert-butylcyclopropyl)butan-1-amine
CID 170282350
N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
CID 88980763
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane?
The IUPAC name of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane (CID 159631086) is N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane.
What is the SMILES notation for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane?
The canonical SMILES for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane is C.C.C.CC(C)(C)C1CC1CN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane?
The InChIKey is MPDCZHLULLAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S.3CH4/c1-12(2,3)11-8-10(11)9-14(13(4,5)6)17(7,15)16;;;/h10-11H,8-9H2,1-7H3;3*1H4.
What are the key properties of N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane?
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane has a molecular weight of 309.56 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane is sourced from PubChem (CID 159631086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).