2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide

C10H21NO3S — CID 164927322

IUPAC2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide
SMILESCC(C)S(=O)(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)7-6-11-9(12)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyOPJXJWXTQVICHH-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.97
Rot. Bonds4

About 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide

2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide (PubChem CID 164927322) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide
PubChem CID164927322
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide
SMILESCC(C)S(=O)(=O)CCNC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)7-6-11-9(12)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyOPJXJWXTQVICHH-UHFFFAOYSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide (CID 164927322) is 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide is CC(C)S(=O)(=O)CCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
The InChIKey is OPJXJWXTQVICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)15(13,14)7-6-11-9(12)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide?
2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide has a molecular weight of 235.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propanamide is sourced from PubChem (CID 164927322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).