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

C11H21NO3S — CID 116816723

IUPAC1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCCC1
InChIInChI=1S/C11H21NO3S/c13-11(6-2-1-3-7-11)10-12-8-4-5-9-16(12,14)15/h13H,1-10H2
InChIKeyMCKVTDCYALPGHQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.11
Rot. Bonds2

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

1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol (PubChem CID 116816723) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol
PubChem CID116816723
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCCC1
InChIInChI=1S/C11H21NO3S/c13-11(6-2-1-3-7-11)10-12-8-4-5-9-16(12,14)15/h13H,1-10H2
InChIKeyMCKVTDCYALPGHQ-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol (CID 116816723) is 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol is O=S1(=O)CCCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is MCKVTDCYALPGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11(6-2-1-3-7-11)10-12-8-4-5-9-16(12,14)15/h13H,1-10H2.
What are the key properties of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol?
1-[(1,1-dioxothiazinan-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 1.11, 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]cyclohexan-1-ol is sourced from PubChem (CID 116816723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).