2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide

C11H16N2O3S2 — CID 164643186

IUPAC2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(C)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-4-10(8(2)17-7)18(15,16)12-9-5-11(14)13(3)6-9/h4,9,12H,5-6H2,1-3H3/t9-/m0/s1
InChIKeySHLLVCJTEXHGEW-VIFPVBQESA-N
MW288.39 g/mol
LogP0.87
Rot. Bonds3

About 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide (PubChem CID 164643186) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
PubChem CID164643186
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(C)s1
InChIInChI=1S/C11H16N2O3S2/c1-7-4-10(8(2)17-7)18(15,16)12-9-5-11(14)13(3)6-9/h4,9,12H,5-6H2,1-3H3/t9-/m0/s1
InChIKeySHLLVCJTEXHGEW-VIFPVBQESA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide (CID 164643186) is 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
The InChIKey is SHLLVCJTEXHGEW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7-4-10(8(2)17-7)18(15,16)12-9-5-11(14)13(3)6-9/h4,9,12H,5-6H2,1-3H3/t9-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide has a molecular weight of 288.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 164643186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).