2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide

C11H25N3O3S — CID 79859382

IUPAC2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
SMILESCCNC(C)(CCN(C)CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C11H25N3O3S/c1-5-13-11(2,10(12)15)6-7-14(3)8-9-18(4,16)17/h13H,5-9H2,1-4H3,(H2,12,15)
InChIKeyTWXPRKPYPOKKAH-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.79
Rot. Bonds9

About 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide

2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide (PubChem CID 79859382) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
PubChem CID79859382
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
SMILESCCNC(C)(CCN(C)CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C11H25N3O3S/c1-5-13-11(2,10(12)15)6-7-14(3)8-9-18(4,16)17/h13H,5-9H2,1-4H3,(H2,12,15)
InChIKeyTWXPRKPYPOKKAH-UHFFFAOYSA-N
XLogP-0.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanoate
CID 79842103
2,2-dimethyl-4-[methyl(2-methylsulfonylethyl)amino]butanethioamide
CID 79850638
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
2-(ethylamino)-4-[2-methoxyethyl(propan-2-yl)amino]-2-methylbutanamide
CID 82959553
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanenitrile
CID 79849690
methyl 2-methyl-5-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)pentanoate
CID 79842102
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
CID 116693896
6-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylhexanamide
CID 62861901
2-(ethylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82961131
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2-ethyl-2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 143439832
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
CID 79858043

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide (CID 79859382) is 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide is CCNC(C)(CCN(C)CCS(C)(=O)=O)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide?
The InChIKey is TWXPRKPYPOKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-5-13-11(2,10(12)15)6-7-14(3)8-9-18(4,16)17/h13H,5-9H2,1-4H3,(H2,12,15).
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide?
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide has a molecular weight of 279.41 g/mol, XLogP of -0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide is sourced from PubChem (CID 79859382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).