2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide

C14H29NO3S — CID 90347351

IUPAC2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide
SMILESCC(C)(C)CCC(NC(=O)CS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H29NO3S/c1-13(2,3)9-8-11(14(4,5)6)15-12(16)10-19(7,17)18/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyPJAFRRFXQHJQLJ-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.39
Rot. Bonds5

About 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide

2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide (PubChem CID 90347351) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide
PubChem CID90347351
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide
SMILESCC(C)(C)CCC(NC(=O)CS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H29NO3S/c1-13(2,3)9-8-11(14(4,5)6)15-12(16)10-19(7,17)18/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyPJAFRRFXQHJQLJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide?
The IUPAC name of 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide (CID 90347351) is 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide?
The canonical SMILES for 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide is CC(C)(C)CCC(NC(=O)CS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide?
The InChIKey is PJAFRRFXQHJQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-13(2,3)9-8-11(14(4,5)6)15-12(16)10-19(7,17)18/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide?
2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide has a molecular weight of 291.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide is sourced from PubChem (CID 90347351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).