2-[methyl(2-methylsulfonylethyl)amino]butanamide

C8H18N2O3S — CID 78924974

IUPAC2-[methyl(2-methylsulfonylethyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-4-7(8(9)11)10(2)5-6-14(3,12)13/h7H,4-6H2,1-3H3,(H2,9,11)
InChIKeyJYJTVAPISOERKF-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.77
Rot. Bonds6

About 2-[methyl(2-methylsulfonylethyl)amino]butanamide

2-[methyl(2-methylsulfonylethyl)amino]butanamide (PubChem CID 78924974) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)amino]butanamide.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)amino]butanamide
PubChem CID78924974
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-[methyl(2-methylsulfonylethyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-4-7(8(9)11)10(2)5-6-14(3,12)13/h7H,4-6H2,1-3H3,(H2,9,11)
InChIKeyJYJTVAPISOERKF-UHFFFAOYSA-N
XLogP-0.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]butanamide?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]butanamide (CID 78924974) is 2-[methyl(2-methylsulfonylethyl)amino]butanamide.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)amino]butanamide?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)amino]butanamide is CCC(C(N)=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)amino]butanamide?
The InChIKey is JYJTVAPISOERKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-4-7(8(9)11)10(2)5-6-14(3,12)13/h7H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 2-[methyl(2-methylsulfonylethyl)amino]butanamide?
2-[methyl(2-methylsulfonylethyl)amino]butanamide has a molecular weight of 222.31 g/mol, XLogP of -0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfonylethyl)amino]butanamide is sourced from PubChem (CID 78924974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).