4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide

C11H19N3O2S2 — CID 54953013

IUPAC4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9(7-14-4-2-3-5-14)13-18(15,16)11-6-10(12)8-17-11/h6,8-9,13H,2-5,7,12H2,1H3
InChIKeyTYQITQADMZHSRH-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.09
Rot. Bonds5

About 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide

4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 54953013) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID54953013
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CN1CCCC1)NS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H19N3O2S2/c1-9(7-14-4-2-3-5-14)13-18(15,16)11-6-10(12)8-17-11/h6,8-9,13H,2-5,7,12H2,1H3
InChIKeyTYQITQADMZHSRH-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 54953013) is 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is CC(CN1CCCC1)NS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is TYQITQADMZHSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-9(7-14-4-2-3-5-14)13-18(15,16)11-6-10(12)8-17-11/h6,8-9,13H,2-5,7,12H2,1H3.
What are the key properties of 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 289.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 54953013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).