N-[2-(3-methylbutylsulfonyl)ethyl]butanamide

C11H23NO3S — CID 155055629

IUPACN-[2-(3-methylbutylsulfonyl)ethyl]butanamide
SMILESCCCC(=O)NCCS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H23NO3S/c1-4-5-11(13)12-7-9-16(14,15)8-6-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyDEHUWSKKIIUKSM-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.36
Rot. Bonds8

About N-[2-(3-methylbutylsulfonyl)ethyl]butanamide

N-[2-(3-methylbutylsulfonyl)ethyl]butanamide (PubChem CID 155055629) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(3-methylbutylsulfonyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3-methylbutylsulfonyl)ethyl]butanamide
PubChem CID155055629
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[2-(3-methylbutylsulfonyl)ethyl]butanamide
SMILESCCCC(=O)NCCS(=O)(=O)CCC(C)C
InChIInChI=1S/C11H23NO3S/c1-4-5-11(13)12-7-9-16(14,15)8-6-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyDEHUWSKKIIUKSM-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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
2-ethylsulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 75414899
(2S)-2-cyclohexylsulfonyl-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 96549331
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
CID 134298579
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfinyl]propanamide
CID 134298584
N-ethyl-3-(3-fluoro-3-methylbutyl)sulfinylpropanamide
CID 134298732
2-methyl-N-(4,4,4-trifluoro-3-methylsulfonylbutyl)propanamide
CID 167018805
N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 5107420
N-(1,1-Dioxidotetrahydrothiophen-3-yl)pivalamide
CID 45595595
N-[(2R)-1-ethylsulfonylpropan-2-yl]cyclopropanecarboxamide
CID 166638056

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylsulfonyl)ethyl]butanamide?
The IUPAC name of N-[2-(3-methylbutylsulfonyl)ethyl]butanamide (CID 155055629) is N-[2-(3-methylbutylsulfonyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3-methylbutylsulfonyl)ethyl]butanamide?
The canonical SMILES for N-[2-(3-methylbutylsulfonyl)ethyl]butanamide is CCCC(=O)NCCS(=O)(=O)CCC(C)C.
What is the InChIKey of N-[2-(3-methylbutylsulfonyl)ethyl]butanamide?
The InChIKey is DEHUWSKKIIUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-5-11(13)12-7-9-16(14,15)8-6-10(2)3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-[2-(3-methylbutylsulfonyl)ethyl]butanamide?
N-[2-(3-methylbutylsulfonyl)ethyl]butanamide has a molecular weight of 249.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylsulfonyl)ethyl]butanamide is sourced from PubChem (CID 155055629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).