2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide

C13H27NO3S — CID 130266058

IUPAC2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-12(2,3)7-8-13(4,5)11(15)14-9-10-18(6,16)17/h7-10H2,1-6H3,(H,14,15)
InChIKeyRWAXRZQMDQFEEU-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.00
Rot. Bonds6

About 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide

2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide (PubChem CID 130266058) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
PubChem CID130266058
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide
SMILESCC(C)(C)CCC(C)(C)C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C13H27NO3S/c1-12(2,3)7-8-13(4,5)11(15)14-9-10-18(6,16)17/h7-10H2,1-6H3,(H,14,15)
InChIKeyRWAXRZQMDQFEEU-UHFFFAOYSA-N
XLogP2.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,6,6,6-pentahydroxy-N-(2-methylsulfonylethyl)hexanamide
CID 145336912
azane;2-methylsulfonylethylcarbamic acid
CID 174924120
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-methyl-N-(2-methylsulfonylethyl)-2,3-diphenylpropanamide
CID 110357212
tert-butyl N-[2-(2-methylsulfonylethylamino)-2-oxoethyl]carbamate
CID 47451849
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
1-[(2S)-butan-2-yl]-3-(2-methylsulfonylethyl)urea
CID 94941483
2-(2,2-dimethylbutanoylamino)ethanesulfonic acid;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonic acid
CID 91582166
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide?
The IUPAC name of 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide (CID 130266058) is 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide?
The canonical SMILES for 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide is CC(C)(C)CCC(C)(C)C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide?
The InChIKey is RWAXRZQMDQFEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-12(2,3)7-8-13(4,5)11(15)14-9-10-18(6,16)17/h7-10H2,1-6H3,(H,14,15).
What are the key properties of 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide?
2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide has a molecular weight of 277.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-(2-methylsulfonylethyl)hexanamide is sourced from PubChem (CID 130266058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).