N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen

C9H15NO3S2 — CID 161366423

IUPACN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen
SMILESCC(C)c1sccc1C(=O)NS(C)(=O)=O.[H][H]
InChIInChI=1S/C9H13NO3S2.H2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13;/h4-6H,1-3H3,(H,10,11);1H
InChIKeyVPWIGLLLPIVVIS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds3

About N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen

N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen (PubChem CID 161366423) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen
PubChem CID161366423
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC NameN-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen
SMILESCC(C)c1sccc1C(=O)NS(C)(=O)=O.[H][H]
InChIInChI=1S/C9H13NO3S2.H2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13;/h4-6H,1-3H3,(H,10,11);1H
InChIKeyVPWIGLLLPIVVIS-UHFFFAOYSA-N
XLogP1.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen?
The IUPAC name of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen (CID 161366423) is N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen is CC(C)c1sccc1C(=O)NS(C)(=O)=O.[H][H].
What is the InChIKey of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen?
The InChIKey is VPWIGLLLPIVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2.H2/c1-6(2)8-7(4-5-14-8)9(11)10-15(3,12)13;/h4-6H,1-3H3,(H,10,11);1H.
What are the key properties of N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen?
N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen has a molecular weight of 249.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-propan-2-ylthiophene-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161366423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).