N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide

C11H15N3O2S2 — CID 105361539

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESNCC#Cc1cnc(NS(=O)(=O)C2CCCC2)s1
InChIInChI=1S/C11H15N3O2S2/c12-7-3-4-9-8-13-11(17-9)14-18(15,16)10-5-1-2-6-10/h8,10H,1-2,5-7,12H2,(H,13,14)
InChIKeyZFXQDOZHARYJAP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.14
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (PubChem CID 105361539) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
PubChem CID105361539
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESNCC#Cc1cnc(NS(=O)(=O)C2CCCC2)s1
InChIInChI=1S/C11H15N3O2S2/c12-7-3-4-9-8-13-11(17-9)14-18(15,16)10-5-1-2-6-10/h8,10H,1-2,5-7,12H2,(H,13,14)
InChIKeyZFXQDOZHARYJAP-UHFFFAOYSA-N
XLogP1.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (CID 105361539) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide is NCC#Cc1cnc(NS(=O)(=O)C2CCCC2)s1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The InChIKey is ZFXQDOZHARYJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c12-7-3-4-9-8-13-11(17-9)14-18(15,16)10-5-1-2-6-10/h8,10H,1-2,5-7,12H2,(H,13,14).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide is sourced from PubChem (CID 105361539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).