4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide

C13H24N2OS — CID 79681465

IUPAC4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide
SMILESCC1CCC(N2CCOC(C(N)=S)C2)CC1C
InChIInChI=1S/C13H24N2OS/c1-9-3-4-11(7-10(9)2)15-5-6-16-12(8-15)13(14)17/h9-12H,3-8H2,1-2H3,(H2,14,17)
InChIKeyJMERZMVBKMLSNT-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.80
Rot. Bonds2

About 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide

4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide (PubChem CID 79681465) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide
PubChem CID79681465
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide
SMILESCC1CCC(N2CCOC(C(N)=S)C2)CC1C
InChIInChI=1S/C13H24N2OS/c1-9-3-4-11(7-10(9)2)15-5-6-16-12(8-15)13(14)17/h9-12H,3-8H2,1-2H3,(H2,14,17)
InChIKeyJMERZMVBKMLSNT-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylpropyl)-3-morpholin-4-ylhexanedithioamide
CID 88056799
5-Methyl-3-morpholin-4-yloctanedithioamide
CID 88058005
4-ethyl-N-methyl-N-(morpholin-2-ylmethyl)cyclohexan-1-amine
CID 61739913
3-[(3-Ethylcyclohexyl)-(2-methoxyethyl)amino]propanethioamide
CID 64256480
[4-(3-Ethylcyclohexyl)morpholin-2-yl]methanamine
CID 64257451
3,4-dimethyl-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
CID 64732584
3-[(3,4-Dimethylcyclohexyl)-(2-methoxyethyl)amino]propanethioamide
CID 64740555
[4-(3,4-Dimethylcyclohexyl)morpholin-2-yl]methanamine
CID 64740939
3,4-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 64742481
[4-(4-Ethylcyclohexyl)morpholin-2-yl]methanamine
CID 64747686
3-[(4-Ethylcyclohexyl)-(2-methoxyethyl)amino]propanethioamide
CID 64747899
[2-[(5-Ethyl-2-methylmorpholin-4-yl)methyl]cyclohexyl]methanamine
CID 65881319

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide (CID 79681465) is 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide is CC1CCC(N2CCOC(C(N)=S)C2)CC1C.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide?
The InChIKey is JMERZMVBKMLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9-3-4-11(7-10(9)2)15-5-6-16-12(8-15)13(14)17/h9-12H,3-8H2,1-2H3,(H2,14,17).
What are the key properties of 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide?
4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide has a molecular weight of 256.41 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79681465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).