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

C9H19NO5S2 — CID 102887405

IUPAC4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CCCCO
InChIInChI=1S/C9H19NO5S2/c1-9-8-16(12,13)7-4-10(9)17(14,15)6-3-2-5-11/h9,11H,2-8H2,1H3
InChIKeyRPCNAZJZCGFCFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.79
Rot. Bonds5

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

4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol (PubChem CID 102887405) has the molecular formula C9H19NO5S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
PubChem CID102887405
Molecular FormulaC9H19NO5S2
Molecular Weight285.39 g/mol
Exact Mass285.07
IUPAC Name4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)CCCCO
InChIInChI=1S/C9H19NO5S2/c1-9-8-16(12,13)7-4-10(9)17(14,15)6-3-2-5-11/h9,11H,2-8H2,1H3
InChIKeyRPCNAZJZCGFCFL-UHFFFAOYSA-N
XLogP-0.79
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol?
The IUPAC name of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol (CID 102887405) is 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol.
What is the SMILES notation for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol?
The canonical SMILES for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol is CC1CS(=O)(=O)CCN1S(=O)(=O)CCCCO.
What is the InChIKey of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol?
The InChIKey is RPCNAZJZCGFCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S2/c1-9-8-16(12,13)7-4-10(9)17(14,15)6-3-2-5-11/h9,11H,2-8H2,1H3.
What are the key properties of 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol?
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol has a molecular weight of 285.39 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol is sourced from PubChem (CID 102887405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).