N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide

C11H23NO3S — CID 71931421

IUPACN-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H23NO3S/c1-6-11(4,5)10(13)12-9(3)8-16(14,15)7-2/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyPWEDFGYCQYJHQF-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.36
Rot. Bonds6

About N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide

N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide (PubChem CID 71931421) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
PubChem CID71931421
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)CS(=O)(=O)CC
InChIInChI=1S/C11H23NO3S/c1-6-11(4,5)10(13)12-9(3)8-16(14,15)7-2/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyPWEDFGYCQYJHQF-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
3,3-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)butanamide
CID 3336602
3,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)butanamide
CID 42915506
3,3-dimethyl-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
CID 56782889
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
CID 164634854
2,2-dimethyl-N-[1,1,1-trifluoro-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707107
2,2-dimethyl-N-[3-methyl-4,4-bis(trifluoromethylsulfonyl)butan-2-yl]butanamide
CID 89707108
N-[4,4-bis(trifluoromethylsulfonyl)butan-2-yl]-2,2-dimethylbutanamide
CID 89707109
2,2-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)butanamide
CID 3145068
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide (CID 71931421) is N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(C)CS(=O)(=O)CC.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide?
The InChIKey is PWEDFGYCQYJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-6-11(4,5)10(13)12-9(3)8-16(14,15)7-2/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide?
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide has a molecular weight of 249.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 71931421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).