N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane

C17H41NO2S — CID 159564293

IUPACN-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
SMILESC.C.C.CC(C)(C)[C@H]1C[C@@]1(C)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S.3CH4/c1-12(2,3)11-9-14(11,7)10-15(13(4,5)6)18(8,16)17;;;/h11H,9-10H2,1-8H3;3*1H4/t11-,14+;;;/m1.../s1
InChIKeyMGZXFFFDQGOCSV-FTFGNSDMSA-N
MW323.59 g/mol
LogP5.03
Rot. Bonds3

About N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane

N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane (PubChem CID 159564293) has the molecular formula C17H41NO2S and a molecular weight of 323.59 g/mol. Its IUPAC name is N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane.

Molecular Properties

Compound NameN-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
PubChem CID159564293
Molecular FormulaC17H41NO2S
Molecular Weight323.59 g/mol
Exact Mass323.29
IUPAC NameN-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
SMILESC.C.C.CC(C)(C)[C@H]1C[C@@]1(C)CN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C14H29NO2S.3CH4/c1-12(2,3)11-9-14(11,7)10-15(13(4,5)6)18(8,16)17;;;/h11H,9-10H2,1-8H3;3*1H4/t11-,14+;;;/m1.../s1
InChIKeyMGZXFFFDQGOCSV-FTFGNSDMSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.59
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane with MolForge

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Related Compounds

N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
CID 159631086
N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide
CID 70799705
2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylcyclopropane
CID 123830542
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
CID 70799435
2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113152828
N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
CID 88980763
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
1,2-ditert-butyl-1-methylcyclopropane
CID 58388728
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
CID 113140775

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane?
The IUPAC name of N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane (CID 159564293) is N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane.
What is the SMILES notation for N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane?
The canonical SMILES for N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane is C.C.C.CC(C)(C)[C@H]1C[C@@]1(C)CN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane?
The InChIKey is MGZXFFFDQGOCSV-FTFGNSDMSA-N. The full InChI is InChI=1S/C14H29NO2S.3CH4/c1-12(2,3)11-9-14(11,7)10-15(13(4,5)6)18(8,16)17;;;/h11H,9-10H2,1-8H3;3*1H4/t11-,14+;;;/m1.../s1.
What are the key properties of N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane?
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane has a molecular weight of 323.59 g/mol, XLogP of 5.03, 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-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane is sourced from PubChem (CID 159564293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).