N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane

C14H33NO4S2 — CID 160795103

IUPACN-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
SMILESC.CC(CS(=O)(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H29NO4S2.CH4/c1-11(12(2,3)4)9-20(17,18)10-14(13(5,6)7)19(8,15)16;/h11H,9-10H2,1-8H3;1H4
InChIKeySCIKSJFPQIJOPQ-UHFFFAOYSA-N
MW343.56 g/mol
LogP2.74
Rot. Bonds5

About N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane

N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane (PubChem CID 160795103) has the molecular formula C14H33NO4S2 and a molecular weight of 343.56 g/mol. Its IUPAC name is N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane.

Molecular Properties

Compound NameN-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
PubChem CID160795103
Molecular FormulaC14H33NO4S2
Molecular Weight343.56 g/mol
Exact Mass343.19
IUPAC NameN-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
SMILESC.CC(CS(=O)(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H29NO4S2.CH4/c1-11(12(2,3)4)9-20(17,18)10-14(13(5,6)7)19(8,15)16;/h11H,9-10H2,1-8H3;1H4
InChIKeySCIKSJFPQIJOPQ-UHFFFAOYSA-N
XLogP2.74
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-N-ethylmethanesulfonamide
CID 58540473
2,3,3-trimethylbutane-1-sulfonyl fluoride
CID 115016219
2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
N-tert-butyl-N-[[1-(3,3-dimethylbutan-2-yloxy)cyclopropyl]methyl]methanesulfonamide
CID 70799435
N-tert-butyl-N-[4,4-dimethyl-2-(methylsulfonylmethyl)pentyl]methanesulfonamide;methane
CID 161033383
N-tert-butyl-N-[2-(1-fluoro-3,3-dimethylbutan-2-yl)oxyethyl]methanesulfonamide
CID 88980561
N-tert-butyl-N-(2,2,4,4-tetramethylpentyl)methanesulfonamide
CID 88980763
methyl N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-N-(3,3-dimethylbutan-2-yl)carbamate
CID 88980556
N-tert-butyl-N-[[(1R,2R)-2-tert-butyl-1-methylcyclopropyl]methyl]methanesulfonamide;methane
CID 159564293
N-tert-butyl-N-[(2-tert-butylcyclopropyl)methyl]methanesulfonamide;methane
CID 159631086
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane?
The IUPAC name of N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane (CID 160795103) is N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane.
What is the SMILES notation for N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane?
The canonical SMILES for N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane is C.CC(CS(=O)(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane?
The InChIKey is SCIKSJFPQIJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO4S2.CH4/c1-11(12(2,3)4)9-20(17,18)10-14(13(5,6)7)19(8,15)16;/h11H,9-10H2,1-8H3;1H4.
What are the key properties of N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane?
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane has a molecular weight of 343.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane is sourced from PubChem (CID 160795103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).