5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide

C12H24N2OS — CID 115570950

IUPAC5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCCC1COC(C)CN1C(=S)NCC(C)C
InChIInChI=1S/C12H24N2OS/c1-5-11-8-15-10(4)7-14(11)12(16)13-6-9(2)3/h9-11H,5-8H2,1-4H3,(H,13,16)
InChIKeyKITLQVHSFUHIJJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.02
Rot. Bonds3

About 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide

5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide (PubChem CID 115570950) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
PubChem CID115570950
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide
SMILESCCC1COC(C)CN1C(=S)NCC(C)C
InChIInChI=1S/C12H24N2OS/c1-5-11-8-15-10(4)7-14(11)12(16)13-6-9(2)3/h9-11H,5-8H2,1-4H3,(H,13,16)
InChIKeyKITLQVHSFUHIJJ-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.02
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

N-(3-ethoxypropyl)-5-ethyl-2-methylmorpholine-4-carbothioamide
CID 113218445
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
5-ethyl-2-methyl-N'-propan-2-ylmorpholine-4-carboximidamide
CID 62361901
N-(2-amino-2-sulfanylideneethyl)-2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoacetamide
CID 61424161
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
5-amino-1-(5-ethyl-2-methylmorpholin-4-yl)hexan-1-one
CID 82848307
2-amino-1-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-one
CID 43650344

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The IUPAC name of 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide (CID 115570950) is 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide.
What is the SMILES notation for 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The canonical SMILES for 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide is CCC1COC(C)CN1C(=S)NCC(C)C.
What is the InChIKey of 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
The InChIKey is KITLQVHSFUHIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-5-11-8-15-10(4)7-14(11)12(16)13-6-9(2)3/h9-11H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide?
5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide has a molecular weight of 244.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-(2-methylpropyl)morpholine-4-carbothioamide is sourced from PubChem (CID 115570950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).