N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide

C12H26N2O3S — CID 88980772

IUPACN-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-11(2,3)13(7)10(15)9-14(12(4,5)6)18(8,16)17/h9H2,1-8H3
InChIKeyACDLDXFSXLNGQF-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.30
Rot. Bonds3

About N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide

N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide (PubChem CID 88980772) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide
PubChem CID88980772
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(C(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-11(2,3)13(7)10(15)9-14(12(4,5)6)18(8,16)17/h9H2,1-8H3
InChIKeyACDLDXFSXLNGQF-UHFFFAOYSA-N
XLogP1.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide?
The IUPAC name of N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide (CID 88980772) is N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide.
What is the SMILES notation for N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide?
The canonical SMILES for N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide is CN(C(=O)CN(C(C)(C)C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide?
The InChIKey is ACDLDXFSXLNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2,3)13(7)10(15)9-14(12(4,5)6)18(8,16)17/h9H2,1-8H3.
What are the key properties of N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide?
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide has a molecular weight of 278.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]-N-methylacetamide is sourced from PubChem (CID 88980772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).