N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide

C11H23NO3S — CID 78877046

IUPACN,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide
SMILESCC(C)CCS(=O)(=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2)7-9-16(14,15)8-5-6-11(13)12(3)4/h10H,5-9H2,1-4H3
InChIKeyFCYVKOTZLUBGCT-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.32
Rot. Bonds7

About N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide

N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide (PubChem CID 78877046) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide
PubChem CID78877046
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide
SMILESCC(C)CCS(=O)(=O)CCCC(=O)N(C)C
InChIInChI=1S/C11H23NO3S/c1-10(2)7-9-16(14,15)8-5-6-11(13)12(3)4/h10H,5-9H2,1-4H3
InChIKeyFCYVKOTZLUBGCT-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butyramide, 2-(ethylsulfonyl)-N,N,2-triethyl-
CID 48208
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylbutanamide
CID 7613961
2-cyclopropylsulfonyl-N-ethyl-N-(2-ethylbutyl)-2-methylpropanamide
CID 121557805
N-[(1,1-dioxothiolan-3-yl)methyl]-N,2,3,3-tetramethylbutanamide
CID 136527412
N,N,2-trimethyl-2-(3,3,4,4,4-pentafluorobutylsulfonyl)-4-(trifluoromethylsulfanyl)butanamide
CID 87315617
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylbutanamide
CID 24284664
N,N,3-trimethyl-1,1-dioxothiolane-3-carboxamide
CID 57911510
1-(1,1-Dioxidothiomorpholino)-3-methylbutan-1-one
CID 58845601
N,N-dimethyl-1,1-dioxothiolane-3-carboxamide
CID 60675585
N,N-dimethyl-4-methylsulfonylbutanamide
CID 84324015
N,N-dimethyl-2-(3-methylbutylsulfonylmethyl)butanediamide
CID 91344635

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide?
The IUPAC name of N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide (CID 78877046) is N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide?
The canonical SMILES for N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide is CC(C)CCS(=O)(=O)CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide?
The InChIKey is FCYVKOTZLUBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)7-9-16(14,15)8-5-6-11(13)12(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide?
N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide has a molecular weight of 249.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methylbutylsulfonyl)butanamide is sourced from PubChem (CID 78877046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).