4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol

C12H23NO3S2 — CID 114762631

IUPAC4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1C1CCC(O)CC1
InChIInChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-3-5-11(14)6-4-10/h10-12,14H,2-9H2,1H3
InChIKeyBNDHKGNVTDAQIU-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.10
Rot. Bonds3

About 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol

4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol (PubChem CID 114762631) has the molecular formula C12H23NO3S2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
PubChem CID114762631
Molecular FormulaC12H23NO3S2
Molecular Weight293.45 g/mol
Exact Mass293.11
IUPAC Name4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
SMILESCCS(=O)(=O)C1CSCCN1C1CCC(O)CC1
InChIInChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-3-5-11(14)6-4-10/h10-12,14H,2-9H2,1H3
InChIKeyBNDHKGNVTDAQIU-UHFFFAOYSA-N
XLogP1.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
4-(1,1-Dioxo-1,3-thiazolidin-3-yl)cyclohexan-1-ol
CID 176696804
4-(4-Propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 176761201
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 60885327
2-(3-Ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66375579
2-(3-Ethylsulfonylthiomorpholin-4-yl)cycloheptan-1-ol
CID 66376355
2-(3-Methylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol
CID 66382421
2-(3-Methylsulfonylthiomorpholin-4-yl)cycloheptan-1-ol
CID 66383388
4-(1,1-Dioxothiazinan-2-yl)cyclohexan-1-ol
CID 83824152
4-[(1,1-Dioxothiolan-3-yl)-methylamino]cyclohexan-1-ol
CID 84163583
4-[(1S,2S)-2-hydroxycyclohexyl]-1lambda6-thiomorpholine-1,1-dione
CID 102731913
trans-(1R,2R)-2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 102731914

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol (CID 114762631) is 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol is CCS(=O)(=O)C1CSCCN1C1CCC(O)CC1.
What is the InChIKey of 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
The InChIKey is BNDHKGNVTDAQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S2/c1-2-18(15,16)12-9-17-8-7-13(12)10-3-5-11(14)6-4-10/h10-12,14H,2-9H2,1H3.
What are the key properties of 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol?
4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylthiomorpholin-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 114762631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).