2,6-diethyl-N-methylmorpholine-4-carbothioamide

C10H20N2OS — CID 130857552

IUPAC2,6-diethyl-N-methylmorpholine-4-carbothioamide
SMILESCCC1CN(C(=S)NC)CC(CC)O1
InChIInChI=1S/C10H20N2OS/c1-4-8-6-12(10(14)11-3)7-9(5-2)13-8/h8-9H,4-7H2,1-3H3,(H,11,14)
InChIKeyDYRQRJHAVFPIHP-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.38
Rot. Bonds2

About 2,6-diethyl-N-methylmorpholine-4-carbothioamide

2,6-diethyl-N-methylmorpholine-4-carbothioamide (PubChem CID 130857552) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2,6-diethyl-N-methylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name2,6-diethyl-N-methylmorpholine-4-carbothioamide
PubChem CID130857552
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2,6-diethyl-N-methylmorpholine-4-carbothioamide
SMILESCCC1CN(C(=S)NC)CC(CC)O1
InChIInChI=1S/C10H20N2OS/c1-4-8-6-12(10(14)11-3)7-9(5-2)13-8/h8-9H,4-7H2,1-3H3,(H,11,14)
InChIKeyDYRQRJHAVFPIHP-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-methylpiperidine-1-carbothioamide
CID 115580649
(2S,6R)-2,6-diethyl-4-methylmorpholine
CID 152824903
2-ethyl-N-methylthiomorpholine-4-carbothioamide
CID 115662486
1-N,4-N-dimethylpiperazine-1,4-dicarbothioamide
CID 2731758
2-ethyl-N-methylazetidine-1-carbothioamide
CID 131084443
N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 4767625
(2R,6R)-N-(3-methoxypropyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 51389640
2-ethyl-N-phenylmorpholine-4-carbothioamide
CID 116507471
N-butyl-2,6-dimethylthiomorpholine-4-carbothioamide
CID 115662362
N,3,3-trimethylazetidine-1-carbothioamide
CID 126999189
2-(hydroxymethyl)-6-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
CID 102932378
4-(dimethylamino)-N-methylpiperidine-1-carbothioamide
CID 115583416

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-methylmorpholine-4-carbothioamide?
The IUPAC name of 2,6-diethyl-N-methylmorpholine-4-carbothioamide (CID 130857552) is 2,6-diethyl-N-methylmorpholine-4-carbothioamide.
What is the SMILES notation for 2,6-diethyl-N-methylmorpholine-4-carbothioamide?
The canonical SMILES for 2,6-diethyl-N-methylmorpholine-4-carbothioamide is CCC1CN(C(=S)NC)CC(CC)O1.
What is the InChIKey of 2,6-diethyl-N-methylmorpholine-4-carbothioamide?
The InChIKey is DYRQRJHAVFPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-8-6-12(10(14)11-3)7-9(5-2)13-8/h8-9H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2,6-diethyl-N-methylmorpholine-4-carbothioamide?
2,6-diethyl-N-methylmorpholine-4-carbothioamide has a molecular weight of 216.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-methylmorpholine-4-carbothioamide is sourced from PubChem (CID 130857552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).