N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide

C9H13NO5S3 — CID 58736331

IUPACN-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide
SMILESCCC(=O)c1cc(N(S(C)(=O)=O)S(C)(=O)=O)cs1
InChIInChI=1S/C9H13NO5S3/c1-4-8(11)9-5-7(6-16-9)10(17(2,12)13)18(3,14)15/h5-6H,4H2,1-3H3
InChIKeySFPVZKQAUKASJS-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.07
Rot. Bonds5

About N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide

N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide (PubChem CID 58736331) has the molecular formula C9H13NO5S3 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide
PubChem CID58736331
Molecular FormulaC9H13NO5S3
Molecular Weight311.41 g/mol
Exact Mass311.00
IUPAC NameN-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide
SMILESCCC(=O)c1cc(N(S(C)(=O)=O)S(C)(=O)=O)cs1
InChIInChI=1S/C9H13NO5S3/c1-4-8(11)9-5-7(6-16-9)10(17(2,12)13)18(3,14)15/h5-6H,4H2,1-3H3
InChIKeySFPVZKQAUKASJS-UHFFFAOYSA-N
XLogP1.07
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide (CID 58736331) is N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide is CCC(=O)c1cc(N(S(C)(=O)=O)S(C)(=O)=O)cs1.
What is the InChIKey of N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide?
The InChIKey is SFPVZKQAUKASJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S3/c1-4-8(11)9-5-7(6-16-9)10(17(2,12)13)18(3,14)15/h5-6H,4H2,1-3H3.
What are the key properties of N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide?
N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-(5-propanoylthiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 58736331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).