4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

C10H16N2O2S2 — CID 84597452

IUPAC4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC2)sc1C
InChIInChI=1S/C10H16N2O2S2/c1-7-5-10(15-8(7)2)16(13,14)12-9-3-4-11-6-9/h5,9,11-12H,3-4,6H2,1-2H3
InChIKeyMBRADMDSTGOXPP-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.01
Rot. Bonds3

About 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (PubChem CID 84597452) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
PubChem CID84597452
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCNC2)sc1C
InChIInChI=1S/C10H16N2O2S2/c1-7-5-10(15-8(7)2)16(13,14)12-9-3-4-11-6-9/h5,9,11-12H,3-4,6H2,1-2H3
InChIKeyMBRADMDSTGOXPP-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (CID 84597452) is 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCNC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The InChIKey is MBRADMDSTGOXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-7-5-10(15-8(7)2)16(13,14)12-9-3-4-11-6-9/h5,9,11-12H,3-4,6H2,1-2H3.
What are the key properties of 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide has a molecular weight of 260.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 84597452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).