3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol

C11H23NO3S — CID 106116980

IUPAC3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol
SMILESCCCC(CCO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-2-5-11(6-8-13)10-12-7-3-4-9-16(12,14)15/h11,13H,2-10H2,1H3
InChIKeyXAQXXGBGGLYIQE-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.21
Rot. Bonds6

About 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol

3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol (PubChem CID 106116980) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol
PubChem CID106116980
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol
SMILESCCCC(CCO)CN1CCCCS1(=O)=O
InChIInChI=1S/C11H23NO3S/c1-2-5-11(6-8-13)10-12-7-3-4-9-16(12,14)15/h11,13H,2-10H2,1H3
InChIKeyXAQXXGBGGLYIQE-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-1,2-thiazolidin-2-yl)butan-2-ol
CID 115584238
2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
CID 106253912
1-[2-(2-hydroxyethyl)pentyl]pyrrolidin-2-one
CID 106116958
2-(1,1-dioxothiazinan-2-yl)pentanoic acid
CID 116814416
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
1-cyclopropyl-2-(1,1-dioxothiazinan-2-yl)ethanamine
CID 116816809
3-[(3-propan-2-ylazetidin-1-yl)methyl]hexan-1-ol
CID 106116996
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
2-(2-ethyl-3,3-dimethylbutyl)-1,2-thiazolidine 1,1-dioxide
CID 58573599
ethane;3-propylhexan-1-ol
CID 142096808
N-butan-2-yl-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687638

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol?
The IUPAC name of 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol (CID 106116980) is 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol?
The canonical SMILES for 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol is CCCC(CCO)CN1CCCCS1(=O)=O.
What is the InChIKey of 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol?
The InChIKey is XAQXXGBGGLYIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-5-11(6-8-13)10-12-7-3-4-9-16(12,14)15/h11,13H,2-10H2,1H3.
What are the key properties of 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol?
3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothiazinan-2-yl)methyl]hexan-1-ol is sourced from PubChem (CID 106116980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).