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

C10H19NO3S — CID 116816722

IUPAC1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCC1
InChIInChI=1S/C10H19NO3S/c12-10(5-1-2-6-10)9-11-7-3-4-8-15(11,13)14/h12H,1-9H2
InChIKeyXBKYJWKEJZKQMW-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.72
Rot. Bonds2

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

1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol (PubChem CID 116816722) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol
PubChem CID116816722
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCCN1CC1(O)CCCC1
InChIInChI=1S/C10H19NO3S/c12-10(5-1-2-6-10)9-11-7-3-4-8-15(11,13)14/h12H,1-9H2
InChIKeyXBKYJWKEJZKQMW-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 75435990
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 115967751
4-((1-Hydroxycyclopentyl)methyl)thiomorpholine 1,1-dioxide
CID 65213047
1-[(1-Oxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
CID 65213159
1-[(4-Methylsulfonylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 65213274
1-[(3-Ethylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 66375580
1-[(3-Methylsulfonylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 66382614
1-[(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
CID 103827246
1-[[Methyl(2-propan-2-ylsulfonylethyl)amino]methyl]cyclopentan-1-ol
CID 103839087
1-(3,3-Dimethylbutylsulfonyl)-3-methylpiperidin-3-ol
CID 103878544
1-[(4-Methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclopentan-1-ol
CID 104549885
1-(1,1-Dioxothiazinan-2-yl)-2-methylpentan-2-ol
CID 106291151

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol (CID 116816722) is 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol is O=S1(=O)CCCCN1CC1(O)CCCC1.
What is the InChIKey of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is XBKYJWKEJZKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-10(5-1-2-6-10)9-11-7-3-4-8-15(11,13)14/h12H,1-9H2.
What are the key properties of 1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol?
1-[(1,1-dioxothiazinan-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 233.33 g/mol, XLogP of 0.72, 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]cyclopentan-1-ol is sourced from PubChem (CID 116816722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).