N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 2317331

IUPACN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(CN1CCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-12(2,10-14-7-3-4-8-14)13-18(15,16)11-6-5-9-17-11/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyAWMDQOXOSUBORX-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds5

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

N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 2317331) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID2317331
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(CN1CCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-12(2,10-14-7-3-4-8-14)13-18(15,16)11-6-5-9-17-11/h5-6,9,13H,3-4,7-8,10H2,1-2H3
InChIKeyAWMDQOXOSUBORX-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 2317331) is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is CC(C)(CN1CCCC1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is AWMDQOXOSUBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-12(2,10-14-7-3-4-8-14)13-18(15,16)11-6-5-9-17-11/h5-6,9,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide?
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2317331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).