2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol

C14H27NO3S — CID 55094340

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H27NO3S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-19(17,18)9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyVSDWGSKVOSTHOQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 55094340) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID55094340
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H27NO3S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-19(17,18)9-7-15/h12-14,16H,2-11H2,1H3
InChIKeyVSDWGSKVOSTHOQ-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 136540141
CID 136540141
CID 55055324
CID 55055324
CID 55094296
CID 55094296
CID 55094438
CID 55094438
CID 55105876
CID 55105876
CID 55134298
CID 55134298
CID 62608843
CID 62608843
CID 62608846
CID 62608846
CID 62608884
CID 62608884
CID 62608886
CID 62608886
CID 62609361
CID 62609361
CID 62609362
CID 62609362

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol (CID 55094340) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is VSDWGSKVOSTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-2-3-12-4-5-14(16)13(10-12)11-15-6-8-19(17,18)9-7-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55094340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).