N-(2-methylpropyl)-4-methylsulfonylbutanamide

C9H19NO3S — CID 57487277

IUPACN-(2-methylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)CNC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-8(2)7-10-9(11)5-4-6-14(3,12)13/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyZVLMVPKHPOHRIJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.58
Rot. Bonds6

About N-(2-methylpropyl)-4-methylsulfonylbutanamide

N-(2-methylpropyl)-4-methylsulfonylbutanamide (PubChem CID 57487277) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-methylsulfonylbutanamide
PubChem CID57487277
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(2-methylpropyl)-4-methylsulfonylbutanamide
SMILESCC(C)CNC(=O)CCCS(C)(=O)=O
InChIInChI=1S/C9H19NO3S/c1-8(2)7-10-9(11)5-4-6-14(3,12)13/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyZVLMVPKHPOHRIJ-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-N-(2-methylsulfonylethyl)-3-sulfanylpropanamide
CID 72947097
N-(1,1-dioxidotetrahydrothiophen-3-yl)butyramide
CID 18573523
2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64123102
(4S)-4-methanesulfonylpyrrolidin-2-one
CID 130787450
N-[2-(Methylsulfinyl)ethyl]butanamide
CID 15312540
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
ethane;N-(4,4,4-trifluoro-3-methylsulfonylbutyl)acetamide
CID 155701897
2-methyl-N-(3,3,3-trifluoro-2-methylsulfonylpropyl)propanamide
CID 164739924
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-methylsulfonylbutanamide?
The IUPAC name of N-(2-methylpropyl)-4-methylsulfonylbutanamide (CID 57487277) is N-(2-methylpropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for N-(2-methylpropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for N-(2-methylpropyl)-4-methylsulfonylbutanamide is CC(C)CNC(=O)CCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-4-methylsulfonylbutanamide?
The InChIKey is ZVLMVPKHPOHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)7-10-9(11)5-4-6-14(3,12)13/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-methylpropyl)-4-methylsulfonylbutanamide?
N-(2-methylpropyl)-4-methylsulfonylbutanamide has a molecular weight of 221.32 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 57487277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).