trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol

C10H19NO3S2 — CID 102734831

IUPACtrans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CSCCN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyNMVIWEQBGCPKEK-MGRQHWMJSA-N
MW265.40 g/mol
LogP0.32
Rot. Bonds2

About trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol (PubChem CID 102734831) has the molecular formula C10H19NO3S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
PubChem CID102734831
Molecular FormulaC10H19NO3S2
Molecular Weight265.40 g/mol
Exact Mass265.08
IUPAC Nametrans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol
SMILESCS(=O)(=O)C1CSCCN1[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H19NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1
InChIKeyNMVIWEQBGCPKEK-MGRQHWMJSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol (CID 102734831) is trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol is CS(=O)(=O)C1CSCCN1[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol?
The InChIKey is NMVIWEQBGCPKEK-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H19NO3S2/c1-16(13,14)10-7-15-6-5-11(10)8-3-2-4-9(8)12/h8-10,12H,2-7H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylsulfonylthiomorpholin-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).