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

C11H14N2O3S2 — CID 105361479

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ncc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C11H14N2O3S2/c14-7-3-4-9-8-12-11(17-9)13-18(15,16)10-5-1-2-6-10/h8,10,14H,1-2,5-7H2,(H,12,13)
InChIKeyMAIYDTUTPSLTOU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.17
Rot. Bonds3

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (PubChem CID 105361479) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
PubChem CID105361479
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ncc(C#CCO)s1)C1CCCC1
InChIInChI=1S/C11H14N2O3S2/c14-7-3-4-9-8-12-11(17-9)13-18(15,16)10-5-1-2-6-10/h8,10,14H,1-2,5-7H2,(H,12,13)
InChIKeyMAIYDTUTPSLTOU-UHFFFAOYSA-N
XLogP1.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361539
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxane-4-sulfonamide
CID 62048099
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
CID 60814917
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 62213558
N-(5-bromo-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 61066356
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzenesulfonamide
CID 60812908
3-cyclohexyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 60801873
4-[2-(cyclopropylsulfamoylamino)-1,3-thiazol-5-yl]but-3-yn-1-ol
CID 114811712
N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cyclopentanesulfonamide
CID 105361524
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104710390

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide (CID 105361479) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide is O=S(=O)(Nc1ncc(C#CCO)s1)C1CCCC1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The InChIKey is MAIYDTUTPSLTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c14-7-3-4-9-8-12-11(17-9)13-18(15,16)10-5-1-2-6-10/h8,10,14H,1-2,5-7H2,(H,12,13).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide is sourced from PubChem (CID 105361479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).