1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol

C10H16N2O3S — CID 65049660

IUPAC1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCn1ccnc1C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-12-7-6-11-9(12)10(13)5-3-4-8(10)16(2,14)15/h6-8,13H,3-5H2,1-2H3
InChIKeyCDZBZBLGYUFJBM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.20
Rot. Bonds2

About 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol

1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 65049660) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID65049660
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCn1ccnc1C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-12-7-6-11-9(12)10(13)5-3-4-8(10)16(2,14)15/h6-8,13H,3-5H2,1-2H3
InChIKeyCDZBZBLGYUFJBM-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol (CID 65049660) is 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol is Cn1ccnc1C1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is CDZBZBLGYUFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-12-7-6-11-9(12)10(13)5-3-4-8(10)16(2,14)15/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol?
1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 244.32 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 65049660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).