2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol

C11H20O4S — CID 107135594

IUPAC2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1CCCOC1
InChIInChI=1S/C11H20O4S/c1-16(13,14)10-5-2-6-11(10,12)9-4-3-7-15-8-9/h9-10,12H,2-8H2,1H3
InChIKeySFVKVVMJYXTHJR-UHFFFAOYSA-N
MW248.34 g/mol
LogP0.74
Rot. Bonds2

About 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol

2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol (PubChem CID 107135594) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol
PubChem CID107135594
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CCCC1(O)C1CCCOC1
InChIInChI=1S/C11H20O4S/c1-16(13,14)10-5-2-6-11(10,12)9-4-3-7-15-8-9/h9-10,12H,2-8H2,1H3
InChIKeySFVKVVMJYXTHJR-UHFFFAOYSA-N
XLogP0.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79912938
3-hydroxy-3-methyl-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115028730
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
1-(4-methylpiperidin-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 65049714
3-methyl-1-(oxan-3-yl)cyclohexane-1-carboxylic acid
CID 107137942
3-isocyanato-1-methyl-3-(oxan-3-yl)cyclobutan-1-ol
CID 115027368
N-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 84650253
1,5-dimethyl-3-(oxan-3-yl)pyrrolidin-3-ol
CID 107135663
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
CID 107137841
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934
2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
CID 57477012
3,3-difluoro-1-(oxan-3-yl)cyclobutane-1-carboxylic acid
CID 115031854

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol (CID 107135594) is 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol is CS(=O)(=O)C1CCCC1(O)C1CCCOC1.
What is the InChIKey of 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol?
The InChIKey is SFVKVVMJYXTHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-16(13,14)10-5-2-6-11(10,12)9-4-3-7-15-8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol?
2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol has a molecular weight of 248.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(oxan-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 107135594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).