2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide

C13H28N2O3S — CID 88980588

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H28N2O3S/c1-10(12(2,3)4)14-11(16)9-15(13(5,6)7)19(8,17)18/h10H,9H2,1-8H3,(H,14,16)/t10-/m0/s1
InChIKeyUVIJHHLTSBKKHL-JTQLQIEISA-N
MW292.45 g/mol
LogP1.60
Rot. Bonds4

About 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 88980588) has the molecular formula C13H28N2O3S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
PubChem CID88980588
Molecular FormulaC13H28N2O3S
Molecular Weight292.45 g/mol
Exact Mass292.18
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
SMILESC[C@H](NC(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H28N2O3S/c1-10(12(2,3)4)14-11(16)9-15(13(5,6)7)19(8,17)18/h10H,9H2,1-8H3,(H,14,16)/t10-/m0/s1
InChIKeyUVIJHHLTSBKKHL-JTQLQIEISA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide (CID 88980588) is 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide is C[C@H](NC(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is UVIJHHLTSBKKHL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-10(12(2,3)4)14-11(16)9-15(13(5,6)7)19(8,17)18/h10H,9H2,1-8H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 292.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 88980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).