2-methyl-N-(2-propylsulfonylethyl)butanamide

C10H21NO3S — CID 170049707

IUPAC2-methyl-N-(2-propylsulfonylethyl)butanamide
SMILESCCCS(=O)(=O)CCNC(=O)C(C)CC
InChIInChI=1S/C10H21NO3S/c1-4-7-15(13,14)8-6-11-10(12)9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORZXFNGKJUEVRZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.97
Rot. Bonds7

About 2-methyl-N-(2-propylsulfonylethyl)butanamide

2-methyl-N-(2-propylsulfonylethyl)butanamide (PubChem CID 170049707) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-N-(2-propylsulfonylethyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-propylsulfonylethyl)butanamide
PubChem CID170049707
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-N-(2-propylsulfonylethyl)butanamide
SMILESCCCS(=O)(=O)CCNC(=O)C(C)CC
InChIInChI=1S/C10H21NO3S/c1-4-7-15(13,14)8-6-11-10(12)9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyORZXFNGKJUEVRZ-UHFFFAOYSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
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(2S)-2-cyclohexylsulfonyl-N-[3-(dimethylamino)propyl]-3-methylbutanamide
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(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
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N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
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2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propylsulfonylethyl)butanamide?
The IUPAC name of 2-methyl-N-(2-propylsulfonylethyl)butanamide (CID 170049707) is 2-methyl-N-(2-propylsulfonylethyl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-propylsulfonylethyl)butanamide?
The canonical SMILES for 2-methyl-N-(2-propylsulfonylethyl)butanamide is CCCS(=O)(=O)CCNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-(2-propylsulfonylethyl)butanamide?
The InChIKey is ORZXFNGKJUEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-7-15(13,14)8-6-11-10(12)9(3)5-2/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-(2-propylsulfonylethyl)butanamide?
2-methyl-N-(2-propylsulfonylethyl)butanamide has a molecular weight of 235.35 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propylsulfonylethyl)butanamide is sourced from PubChem (CID 170049707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).