4-nonylmorpholine-2-carbothioamide

C14H28N2OS — CID 79681304

IUPAC4-nonylmorpholine-2-carbothioamide
SMILESCCCCCCCCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C14H28N2OS/c1-2-3-4-5-6-7-8-9-16-10-11-17-13(12-16)14(15)18/h13H,2-12H2,1H3,(H2,15,18)
InChIKeyGGIITQOZUMKNKW-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.72
Rot. Bonds9

About 4-nonylmorpholine-2-carbothioamide

4-nonylmorpholine-2-carbothioamide (PubChem CID 79681304) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-nonylmorpholine-2-carbothioamide.

Molecular Properties

Compound Name4-nonylmorpholine-2-carbothioamide
PubChem CID79681304
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name4-nonylmorpholine-2-carbothioamide
SMILESCCCCCCCCCN1CCOC(C(N)=S)C1
InChIInChI=1S/C14H28N2OS/c1-2-3-4-5-6-7-8-9-16-10-11-17-13(12-16)14(15)18/h13H,2-12H2,1H3,(H2,15,18)
InChIKeyGGIITQOZUMKNKW-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(3-hydroxypropyl)morpholine-2-carbothioamide
CID 79681555
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-butylmorpholine-2-carboximidamide
CID 79680820
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
4-dodecyl-2-ethylmorpholine
CID 4616518
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468

Frequently Asked Questions

What is the IUPAC name of 4-nonylmorpholine-2-carbothioamide?
The IUPAC name of 4-nonylmorpholine-2-carbothioamide (CID 79681304) is 4-nonylmorpholine-2-carbothioamide.
What is the SMILES notation for 4-nonylmorpholine-2-carbothioamide?
The canonical SMILES for 4-nonylmorpholine-2-carbothioamide is CCCCCCCCCN1CCOC(C(N)=S)C1.
What is the InChIKey of 4-nonylmorpholine-2-carbothioamide?
The InChIKey is GGIITQOZUMKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-2-3-4-5-6-7-8-9-16-10-11-17-13(12-16)14(15)18/h13H,2-12H2,1H3,(H2,15,18).
What are the key properties of 4-nonylmorpholine-2-carbothioamide?
4-nonylmorpholine-2-carbothioamide has a molecular weight of 272.46 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonylmorpholine-2-carbothioamide is sourced from PubChem (CID 79681304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).