2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide

C10H21NO3S — CID 166778273

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

About 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide

2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide (PubChem CID 166778273) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide
PubChem CID166778273
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide
SMILESCCC(CS(C)(=O)=O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-6-8(7-15(5,13)14)11-9(12)10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyWPQNCZPGCWLGHD-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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Related Compounds

2,2-dimethyl-N-(1-methylsulfinylbutan-2-yl)propanamide
CID 166778271
2-methyl-2-(methylamino)-N-pentan-3-ylpropanamide
CID 62836185
2-(2,2-dimethylpropanoylamino)-3-sulfopropanoic acid
CID 134470772
(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutane-1-sulfonic acid
CID 10562712
2-acetamidobutane-1-sulfonic acid
CID 174784866
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190
2-(2,2-dimethylpropanoylamino)-4-ethylsulfonylbutanoic acid
CID 108731672
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide (CID 166778273) is 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide is CCC(CS(C)(=O)=O)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide?
The InChIKey is WPQNCZPGCWLGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-6-8(7-15(5,13)14)11-9(12)10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of 2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide?
2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)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-(1-methylsulfonylbutan-2-yl)propanamide is sourced from PubChem (CID 166778273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).