2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide

C7H16N2O3S — CID 30464337

IUPAC2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)8-7(10)5-9(3)13(4,11)12/h6H,5H2,1-4H3,(H,8,10)
InChIKeyPGCWYMVEYIOXSM-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.60
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide

2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide (PubChem CID 30464337) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
PubChem CID30464337
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-6(2)8-7(10)5-9(3)13(4,11)12/h6H,5H2,1-4H3,(H,8,10)
InChIKeyPGCWYMVEYIOXSM-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide (CID 30464337) is 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide?
The InChIKey is PGCWYMVEYIOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-6(2)8-7(10)5-9(3)13(4,11)12/h6H,5H2,1-4H3,(H,8,10).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide?
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide has a molecular weight of 208.28 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 30464337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).