5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

C12H20N2O2S2 — CID 119967115

IUPAC5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-12(2,3)10-4-5-11(17-10)18(15,16)14-9-6-7-13-8-9/h4-5,9,13-14H,6-8H2,1-3H3
InChIKeyQEXCUWVEXBFCTN-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.69
Rot. Bonds3

About 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide

5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (PubChem CID 119967115) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
PubChem CID119967115
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-12(2,3)10-4-5-11(17-10)18(15,16)14-9-6-7-13-8-9/h4-5,9,13-14H,6-8H2,1-3H3
InChIKeyQEXCUWVEXBFCTN-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide (CID 119967115) is 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCNC2)s1.
What is the InChIKey of 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
The InChIKey is QEXCUWVEXBFCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-12(2,3)10-4-5-11(17-10)18(15,16)14-9-6-7-13-8-9/h4-5,9,13-14H,6-8H2,1-3H3.
What are the key properties of 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide?
5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 119967115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).