4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol

C11H21NO3S — CID 102888073

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESCC1CS(=O)(=O)CCN1C1CCC(O)CC1
InChIInChI=1S/C11H21NO3S/c1-9-8-16(14,15)7-6-12(9)10-2-4-11(13)5-3-10/h9-11,13H,2-8H2,1H3
InChIKeyLVJMKVQQAODPIX-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds1

About 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (PubChem CID 102888073) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
PubChem CID102888073
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
SMILESCC1CS(=O)(=O)CCN1C1CCC(O)CC1
InChIInChI=1S/C11H21NO3S/c1-9-8-16(14,15)7-6-12(9)10-2-4-11(13)5-3-10/h9-11,13H,2-8H2,1H3
InChIKeyLVJMKVQQAODPIX-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
4-(2-Propan-2-ylsulfonylethylamino)cyclohexan-1-ol
CID 57992763
4-Thiomorpholin-4-ylcyclohexan-1-ol
CID 70799539
4-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 104549120
Ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696563
Ethane;4-(4-methoxycyclohexyl)-1,4-thiazinane 1-oxide
CID 176696587
4-(4-Propan-2-yloxycyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 176761201
4-[(1,1-Dioxothian-4-yl)amino]cyclohexan-1-ol
CID 43511522
2-(1,1-Dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 60885327
2-(1-Oxo-1,4-thiazinan-4-yl)cyclohexan-1-ol
CID 61555613
4-[(1-Oxothian-4-yl)amino]cyclohexan-1-ol
CID 61565213
[1-(2-Ethylsulfonylethyl)piperidin-2-yl]methanol
CID 62021560

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol (CID 102888073) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is CC1CS(=O)(=O)CCN1C1CCC(O)CC1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
The InChIKey is LVJMKVQQAODPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-9-8-16(14,15)7-6-12(9)10-2-4-11(13)5-3-10/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 102888073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).