1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide

C8H19NO3S — CID 176954820

IUPAC1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCOCC(C)(C)S(=O)(=O)NC(C)C
InChIInChI=1S/C8H19NO3S/c1-7(2)9-13(10,11)8(3,4)6-12-5/h7,9H,6H2,1-5H3
InChIKeyJVWFYHNLHCBDRO-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.74
Rot. Bonds5

About 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide

1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 176954820) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide
PubChem CID176954820
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide
SMILESCOCC(C)(C)S(=O)(=O)NC(C)C
InChIInChI=1S/C8H19NO3S/c1-7(2)9-13(10,11)8(3,4)6-12-5/h7,9H,6H2,1-5H3
InChIKeyJVWFYHNLHCBDRO-UHFFFAOYSA-N
XLogP0.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide (CID 176954820) is 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide is COCC(C)(C)S(=O)(=O)NC(C)C.
What is the InChIKey of 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is JVWFYHNLHCBDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)9-13(10,11)8(3,4)6-12-5/h7,9H,6H2,1-5H3.
What are the key properties of 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide?
1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 176954820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).