1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide

C13H20N4O2S2 — CID 106004407

IUPAC1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C13H20N4O2S2/c1-11(8-12-4-2-7-20-12)16-21(18,19)13-9-15-17(10-13)6-3-5-14/h2,4,7,9-11,16H,3,5-6,8,14H2,1H3
InChIKeyDOIXXNNDCLEYFZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.20
Rot. Bonds8

About 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 106004407) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
PubChem CID106004407
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cnn(CCCN)c1
InChIInChI=1S/C13H20N4O2S2/c1-11(8-12-4-2-7-20-12)16-21(18,19)13-9-15-17(10-13)6-3-5-14/h2,4,7,9-11,16H,3,5-6,8,14H2,1H3
InChIKeyDOIXXNNDCLEYFZ-UHFFFAOYSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide (CID 106004407) is 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1cnn(CCCN)c1.
What is the InChIKey of 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is DOIXXNNDCLEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-11(8-12-4-2-7-20-12)16-21(18,19)13-9-15-17(10-13)6-3-5-14/h2,4,7,9-11,16H,3,5-6,8,14H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106004407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).