(2R)-3-ethenylsulfonyl-2-methylpropanamide

C6H11NO3S — CID 6950445

IUPAC(2R)-3-ethenylsulfonyl-2-methylpropanamide
SMILESC=CS(=O)(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C6H11NO3S/c1-3-11(9,10)4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)/t5-/m0/s1
InChIKeyQMTPWVVMQXOMSH-YFKPBYRVSA-N
MW177.22 g/mol
LogP-0.33
Rot. Bonds4

About (2R)-3-ethenylsulfonyl-2-methylpropanamide

(2R)-3-ethenylsulfonyl-2-methylpropanamide (PubChem CID 6950445) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (2R)-3-ethenylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-ethenylsulfonyl-2-methylpropanamide
PubChem CID6950445
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(2R)-3-ethenylsulfonyl-2-methylpropanamide
SMILESC=CS(=O)(=O)C[C@H](C)C(N)=O
InChIInChI=1S/C6H11NO3S/c1-3-11(9,10)4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)/t5-/m0/s1
InChIKeyQMTPWVVMQXOMSH-YFKPBYRVSA-N
XLogP-0.33
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethenylsulfonyl-2-methylpropanamide?
The IUPAC name of (2R)-3-ethenylsulfonyl-2-methylpropanamide (CID 6950445) is (2R)-3-ethenylsulfonyl-2-methylpropanamide.
What is the SMILES notation for (2R)-3-ethenylsulfonyl-2-methylpropanamide?
The canonical SMILES for (2R)-3-ethenylsulfonyl-2-methylpropanamide is C=CS(=O)(=O)C[C@H](C)C(N)=O.
What is the InChIKey of (2R)-3-ethenylsulfonyl-2-methylpropanamide?
The InChIKey is QMTPWVVMQXOMSH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-3-11(9,10)4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)/t5-/m0/s1.
What are the key properties of (2R)-3-ethenylsulfonyl-2-methylpropanamide?
(2R)-3-ethenylsulfonyl-2-methylpropanamide has a molecular weight of 177.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethenylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 6950445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).