N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide

C9H13NO3S2 — CID 71974845

IUPACN-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N(C)S(C)(=O)=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c1-7(8-5-4-6-14-8)9(11)10(2)15(3,12)13/h4-7H,1-3H3
InChIKeyBYDKZYNMFZQDAF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.27
Rot. Bonds3

About N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide

N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide (PubChem CID 71974845) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide
PubChem CID71974845
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC NameN-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide
SMILESCC(C(=O)N(C)S(C)(=O)=O)c1cccs1
InChIInChI=1S/C9H13NO3S2/c1-7(8-5-4-6-14-8)9(11)10(2)15(3,12)13/h4-7H,1-3H3
InChIKeyBYDKZYNMFZQDAF-UHFFFAOYSA-N
XLogP1.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide (CID 71974845) is N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide is CC(C(=O)N(C)S(C)(=O)=O)c1cccs1.
What is the InChIKey of N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide?
The InChIKey is BYDKZYNMFZQDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-7(8-5-4-6-14-8)9(11)10(2)15(3,12)13/h4-7H,1-3H3.
What are the key properties of N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide?
N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 71974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).