2-methylpropanamide;thiolane 1,1-dioxide

C8H17NO3S — CID 21488850

IUPAC2-methylpropanamide;thiolane 1,1-dioxide
SMILESCC(C)C(N)=O.O=S1(=O)CCCC1
InChIInChI=1S/C4H9NO.C4H8O2S/c1-3(2)4(5)6;5-7(6)3-1-2-4-7/h3H,1-2H3,(H2,5,6);1-4H2
InChIKeyRVVNLHKGZFGWES-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.32
Rot. Bonds1

About 2-methylpropanamide;thiolane 1,1-dioxide

2-methylpropanamide;thiolane 1,1-dioxide (PubChem CID 21488850) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-methylpropanamide;thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-methylpropanamide;thiolane 1,1-dioxide
PubChem CID21488850
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-methylpropanamide;thiolane 1,1-dioxide
SMILESCC(C)C(N)=O.O=S1(=O)CCCC1
InChIInChI=1S/C4H9NO.C4H8O2S/c1-3(2)4(5)6;5-7(6)3-1-2-4-7/h3H,1-2H3,(H2,5,6);1-4H2
InChIKeyRVVNLHKGZFGWES-UHFFFAOYSA-N
XLogP0.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanamide;thiolane 1,1-dioxide?
The IUPAC name of 2-methylpropanamide;thiolane 1,1-dioxide (CID 21488850) is 2-methylpropanamide;thiolane 1,1-dioxide.
What is the SMILES notation for 2-methylpropanamide;thiolane 1,1-dioxide?
The canonical SMILES for 2-methylpropanamide;thiolane 1,1-dioxide is CC(C)C(N)=O.O=S1(=O)CCCC1.
What is the InChIKey of 2-methylpropanamide;thiolane 1,1-dioxide?
The InChIKey is RVVNLHKGZFGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8O2S/c1-3(2)4(5)6;5-7(6)3-1-2-4-7/h3H,1-2H3,(H2,5,6);1-4H2.
What are the key properties of 2-methylpropanamide;thiolane 1,1-dioxide?
2-methylpropanamide;thiolane 1,1-dioxide has a molecular weight of 207.29 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanamide;thiolane 1,1-dioxide is sourced from PubChem (CID 21488850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).