1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol

C11H21NO3S — CID 103827246

IUPAC1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
SMILESCC1CS(=O)(=O)CCN1CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S/c1-10-8-16(14,15)7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3
InChIKeyQBONFPGVQUUOJC-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds2

About 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol (PubChem CID 103827246) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
PubChem CID103827246
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol
SMILESCC1CS(=O)(=O)CCN1CC1(O)CCCC1
InChIInChI=1S/C11H21NO3S/c1-10-8-16(14,15)7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3
InChIKeyQBONFPGVQUUOJC-UHFFFAOYSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol (CID 103827246) is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol is CC1CS(=O)(=O)CCN1CC1(O)CCCC1.
What is the InChIKey of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is QBONFPGVQUUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-10-8-16(14,15)7-6-12(10)9-11(13)4-2-3-5-11/h10,13H,2-9H2,1H3.
What are the key properties of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol?
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103827246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).