1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide

C14H23N3O2S2 — CID 75497436

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(Cc2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H23N3O2S2/c1-10(2)16-21(18,19)11-6-7-17(8-11)9-14-15-12-4-3-5-13(12)20-14/h10-11,16H,3-9H2,1-2H3
InChIKeyWXUUWXGNECVWOH-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.53
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide (PubChem CID 75497436) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
PubChem CID75497436
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(Cc2nc3c(s2)CCC3)C1
InChIInChI=1S/C14H23N3O2S2/c1-10(2)16-21(18,19)11-6-7-17(8-11)9-14-15-12-4-3-5-13(12)20-14/h10-11,16H,3-9H2,1-2H3
InChIKeyWXUUWXGNECVWOH-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide (CID 75497436) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)C1CCN(Cc2nc3c(s2)CCC3)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is WXUUWXGNECVWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-10(2)16-21(18,19)11-6-7-17(8-11)9-14-15-12-4-3-5-13(12)20-14/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 329.49 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 75497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).