2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol

C9H17NO3S — CID 60885326

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
SMILESO=S1(=O)CCN(C2CCCC2O)CC1
InChIInChI=1S/C9H17NO3S/c11-9-3-1-2-8(9)10-4-6-14(12,13)7-5-10/h8-9,11H,1-7H2
InChIKeyKOZNNXYAQURDQY-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.37
Rot. Bonds1

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol

2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol (PubChem CID 60885326) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
PubChem CID60885326
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol
SMILESO=S1(=O)CCN(C2CCCC2O)CC1
InChIInChI=1S/C9H17NO3S/c11-9-3-1-2-8(9)10-4-6-14(12,13)7-5-10/h8-9,11H,1-7H2
InChIKeyKOZNNXYAQURDQY-UHFFFAOYSA-N
XLogP-0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-3-ol, tetrahydro-4-(1-piperidinyl)-, 1,1-dioxide
CID 2851717
1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
(2S)-1,1-dioxo-4-(oxolan-2-ylmethyl)-1,4-thiazinan-2-ol
CID 170452583
(2-Fluoro-8,8-dioxo-8lambda6-thia-5-azoniaspiro[4.5]decan-4-yl)methanol
CID 138007971
[(2S,4S)-2-fluoro-8,8-dioxo-8lambda6-thia-5-azoniaspiro[4.5]decan-4-yl]methanol
CID 138046100
5-(1,1-Dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 58283204
2-Thiomorpholin-4-ylcyclopentan-1-ol
CID 60886307
(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 1360441
(3R,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 1360442
(3S,4S)-3-hydroxy-4-(piperidin-1-yl)-1lambda6-thiolane-1,1-dione
CID 6555452
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-ol
CID 6982120
1,1-Dioxo-4-piperidin-1-ylthiolan-3-ol chloride
CID 21179773

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol (CID 60885326) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol is O=S1(=O)CCN(C2CCCC2O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
The InChIKey is KOZNNXYAQURDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-3-1-2-8(9)10-4-6-14(12,13)7-5-10/h8-9,11H,1-7H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol?
2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclopentan-1-ol has a molecular weight of 219.31 g/mol, XLogP of -0.37, 1 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)cyclopentan-1-ol is sourced from PubChem (CID 60885326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).