1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol

C11H21NO3S2 — CID 66382614

IUPAC1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CSCCN1CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S2/c1-17(14,15)10-8-16-7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3
InChIKeyXULHXCDYIANWSQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.71
Rot. Bonds3

About 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol

1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 66382614) has the molecular formula C11H21NO3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
PubChem CID66382614
Molecular FormulaC11H21NO3S2
Molecular Weight279.43 g/mol
Exact Mass279.10
IUPAC Name1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
SMILESCS(=O)(=O)C1CSCCN1CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S2/c1-17(14,15)10-8-16-7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3
InChIKeyXULHXCDYIANWSQ-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol (CID 66382614) is 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol is CS(=O)(=O)C1CSCCN1CC1(O)CCCC1.
What is the InChIKey of 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is XULHXCDYIANWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S2/c1-17(14,15)10-8-16-7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3.
What are the key properties of 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol?
1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 66382614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).