4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide

C11H20N2O2S — CID 79681740

IUPAC4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCC2CCCO2)CCO1
InChIInChI=1S/C11H20N2O2S/c12-11(16)10-8-13(5-7-15-10)4-3-9-2-1-6-14-9/h9-10H,1-8H2,(H2,12,16)
InChIKeyTZTRMWUXGFFRTI-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.54
Rot. Bonds4

About 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide

4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide (PubChem CID 79681740) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
PubChem CID79681740
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCC2CCCO2)CCO1
InChIInChI=1S/C11H20N2O2S/c12-11(16)10-8-13(5-7-15-10)4-3-9-2-1-6-14-9/h9-10H,1-8H2,(H2,12,16)
InChIKeyTZTRMWUXGFFRTI-UHFFFAOYSA-N
XLogP0.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxolan-2-yl)ethyl]morpholine-2-carboxylic acid
CID 65162198
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-[3-(oxolan-2-yl)propyl]morpholine-2-carboxylic acid
CID 65162197
4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(oxolan-2-ylmethylsulfonyl)morpholine-2-carbothioamide
CID 79674681
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
4-nonylmorpholine-2-carbothioamide
CID 79681304
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
CID 77057944
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide?
The IUPAC name of 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide (CID 79681740) is 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide is NC(=S)C1CN(CCC2CCCO2)CCO1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide?
The InChIKey is TZTRMWUXGFFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c12-11(16)10-8-13(5-7-15-10)4-3-9-2-1-6-14-9/h9-10H,1-8H2,(H2,12,16).
What are the key properties of 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide?
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide has a molecular weight of 244.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide is sourced from PubChem (CID 79681740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).