1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol

C9H14N2OS — CID 134500600

IUPAC1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol
SMILESOC1(N2C=CC=NC2)CCCC1S
InChIInChI=1S/C9H14N2OS/c12-9(4-1-3-8(9)13)11-6-2-5-10-7-11/h2,5-6,8,12-13H,1,3-4,7H2
InChIKeyPARBGOMGGJADQC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.01
Rot. Bonds1

About 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol

1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol (PubChem CID 134500600) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol
PubChem CID134500600
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol
SMILESOC1(N2C=CC=NC2)CCCC1S
InChIInChI=1S/C9H14N2OS/c12-9(4-1-3-8(9)13)11-6-2-5-10-7-11/h2,5-6,8,12-13H,1,3-4,7H2
InChIKeyPARBGOMGGJADQC-UHFFFAOYSA-N
XLogP1.01
TPSA35.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-1-(2H-pyrimidin-1-yl)cyclopentane-1-carboxamide
CID 67590820
cyclopentane-1,1,2-trithiol
CID 141366875
cyclopentane-1,1,2-trithiol
CID 141308098
1-piperidin-1-yl-2H-pyrimidine
CID 154166691
cyclohexane-1,1,2-trithiol
CID 140532753
2-hydroxy-3-(2H-pyrimidin-1-yl)propane-1-sulfonic acid
CID 21218379
cis-(1S,2R)-1-(3-aminopropyl)-2-sulfanylcyclopentane-1-carboxylic acid
CID 87573771
1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 65049660
2-(cyclohexylmethyl)-1-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 139663353
cyclopentane-1,1,2-triol
CID 19830380
1-fluorocyclohexane-1,3-diol
CID 175445441
1-[(3aS,6aR)-6a-hydroxy-3a,4,5,6-tetrahydro-3H-pentalen-1-yl]ethanone
CID 131101263

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol?
The IUPAC name of 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol (CID 134500600) is 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol.
What is the SMILES notation for 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol?
The canonical SMILES for 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol is OC1(N2C=CC=NC2)CCCC1S.
What is the InChIKey of 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol?
The InChIKey is PARBGOMGGJADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9(4-1-3-8(9)13)11-6-2-5-10-7-11/h2,5-6,8,12-13H,1,3-4,7H2.
What are the key properties of 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol?
1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrimidin-1-yl)-2-sulfanylcyclopentan-1-ol is sourced from PubChem (CID 134500600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).