2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol

C9H19NO4S — CID 106304953

IUPAC2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol
SMILESO=S1(=O)CCCCN1CCCOCCO
InChIInChI=1S/C9H19NO4S/c11-6-8-14-7-3-5-10-4-1-2-9-15(10,12)13/h11H,1-9H2
InChIKeyHNLAXSYAMYPZQZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds6

About 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol

2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol (PubChem CID 106304953) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol
PubChem CID106304953
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol
SMILESO=S1(=O)CCCCN1CCCOCCO
InChIInChI=1S/C9H19NO4S/c11-6-8-14-7-3-5-10-4-1-2-9-15(10,12)13/h11H,1-9H2
InChIKeyHNLAXSYAMYPZQZ-UHFFFAOYSA-N
XLogP-0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.19
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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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-ethylpropan-1-amine
CID 116816769
3-(1,1-dioxothiazinan-2-yl)propanethioamide
CID 116814614
6-(1,1-dioxo-1,2-thiazolidin-2-yl)hexan-2-one
CID 62025074
(1,1-dioxo-1,2-thiazolidin-2-yl)methanol
CID 130129909
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-(3-methoxypropyl)-1,2,6-thiadiazocane 1,1-dioxide
CID 117015148
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-(4-methylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 118931491
3-(1,1-dioxothiazinan-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 110687831
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol?
The IUPAC name of 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol (CID 106304953) is 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol.
What is the SMILES notation for 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol?
The canonical SMILES for 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol is O=S1(=O)CCCCN1CCCOCCO.
What is the InChIKey of 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol?
The InChIKey is HNLAXSYAMYPZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c11-6-8-14-7-3-5-10-4-1-2-9-15(10,12)13/h11H,1-9H2.
What are the key properties of 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol?
2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol has a molecular weight of 237.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-dioxothiazinan-2-yl)propoxy]ethanol is sourced from PubChem (CID 106304953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).