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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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).