5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol

C9H19NO3S — CID 58283204

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESO=S1(=O)CCN(CCCCCO)CC1
InChIInChI=1S/C9H19NO3S/c11-7-3-1-2-4-10-5-8-14(12,13)9-6-10/h11H,1-9H2
InChIKeyWOYRNNPPBODICH-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds5

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol

5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (PubChem CID 58283204) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
PubChem CID58283204
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESO=S1(=O)CCN(CCCCCO)CC1
InChIInChI=1S/C9H19NO3S/c11-7-3-1-2-4-10-5-8-14(12,13)9-6-10/h11H,1-9H2
InChIKeyWOYRNNPPBODICH-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (CID 58283204) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is O=S1(=O)CCN(CCCCCO)CC1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The InChIKey is WOYRNNPPBODICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c11-7-3-1-2-4-10-5-8-14(12,13)9-6-10/h11H,1-9H2.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is sourced from PubChem (CID 58283204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).