1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide

C19H32N4O5S2 — CID 146094195

IUPAC1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESO=S1(=O)CCC(N(CCCN2CCOCC2)S(=O)(=O)c2cnn(C3CCCC3)c2)C1
InChIInChI=1S/C19H32N4O5S2/c24-29(25)13-6-18(16-29)23(8-3-7-21-9-11-28-12-10-21)30(26,27)19-14-20-22(15-19)17-4-1-2-5-17/h14-15,17-18H,1-13,16H2
InChIKeyXUAWEOAOIJUHIU-UHFFFAOYSA-N
MW460.62 g/mol
LogP0.90
Rot. Bonds8

About 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide

1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (PubChem CID 146094195) has the molecular formula C19H32N4O5S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
PubChem CID146094195
Molecular FormulaC19H32N4O5S2
Molecular Weight460.62 g/mol
Exact Mass460.18
IUPAC Name1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide
SMILESO=S1(=O)CCC(N(CCCN2CCOCC2)S(=O)(=O)c2cnn(C3CCCC3)c2)C1
InChIInChI=1S/C19H32N4O5S2/c24-29(25)13-6-18(16-29)23(8-3-7-21-9-11-28-12-10-21)30(26,27)19-14-20-22(15-19)17-4-1-2-5-17/h14-15,17-18H,1-13,16H2
InChIKeyXUAWEOAOIJUHIU-UHFFFAOYSA-N
XLogP0.90
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide (CID 146094195) is 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is O=S1(=O)CCC(N(CCCN2CCOCC2)S(=O)(=O)c2cnn(C3CCCC3)c2)C1.
What is the InChIKey of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
The InChIKey is XUAWEOAOIJUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O5S2/c24-29(25)13-6-18(16-29)23(8-3-7-21-9-11-28-12-10-21)30(26,27)19-14-20-22(15-19)17-4-1-2-5-17/h14-15,17-18H,1-13,16H2.
What are the key properties of 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide?
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide has a molecular weight of 460.62 g/mol, XLogP of 0.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 146094195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).