1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol

C12H23NO3S — CID 116816726

IUPAC1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCCCC1
InChIInChI=1S/C12H23NO3S/c14-12(7-3-1-2-4-8-12)11-13-9-5-6-10-17(13,15)16/h14H,1-11H2
InChIKeyWKRXFPGUGAINGN-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.50
Rot. Bonds2

About 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol

1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol (PubChem CID 116816726) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol
PubChem CID116816726
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCCCC1
InChIInChI=1S/C12H23NO3S/c14-12(7-3-1-2-4-8-12)11-13-9-5-6-10-17(13,15)16/h14H,1-11H2
InChIKeyWKRXFPGUGAINGN-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
CID 79610260
1-[(1-Methylsulfonylpiperidin-3-yl)methyl]cycloheptan-1-ol
CID 79612659
1-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]cycloheptan-1-ol
CID 104550049
1-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cycloheptan-1-ol
CID 104550054
1-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]cycloheptan-1-ol
CID 104550070
1-[(1,1-Dioxothiazinan-2-yl)methyl]-4-ethylcyclohexan-1-ol
CID 113567930
2-[(1-Hydroxycycloheptyl)methylamino]ethanesulfonamide
CID 114385267
1-[(1,1-Dioxothiazinan-2-yl)methyl]cyclopentan-1-ol
CID 116816722
1-[(1,1-Dioxothiazinan-2-yl)methyl]cyclohexan-1-ol
CID 116816723

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol (CID 116816726) is 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol is O=S1(=O)CCCCN1CC1(O)CCCCCC1.
What is the InChIKey of 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol?
The InChIKey is WKRXFPGUGAINGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-12(7-3-1-2-4-8-12)11-13-9-5-6-10-17(13,15)16/h14H,1-11H2.
What are the key properties of 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol?
1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiazinan-2-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 116816726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).