(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide

C14H26N2OS — CID 26536311

IUPAC(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide
SMILESC[C@@H]1CN(C(=S)N[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C14H26N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h10-13H,4-9H2,1-3H3,(H,15,18)/t10-,11-,12+,13+/m0/s1
InChIKeyQUFVLFPSIYBMPO-WUHRBBMRSA-N
MW270.44 g/mol
LogP2.55
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide

(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide (PubChem CID 26536311) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide
PubChem CID26536311
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide
SMILESC[C@@H]1CN(C(=S)N[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1
InChIInChI=1S/C14H26N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h10-13H,4-9H2,1-3H3,(H,15,18)/t10-,11-,12+,13+/m0/s1
InChIKeyQUFVLFPSIYBMPO-WUHRBBMRSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.55
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-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide
CID 2957524
1-(2-Methylcyclohexyl)-3-(2-methyl-2-morpholin-4-ylpropyl)thiourea
CID 16554082
1-(2-Cyclohexylmorpholin-4-yl)ethylthiourea
CID 21921991
2-[(1-Propan-2-ylpiperidin-4-yl)methoxy]butylthiourea
CID 57139537
1-Cyclohexyl-3-(1-morpholin-4-ylethyl)thiourea
CID 87166147
(2-Cyclohexyl-2-morpholin-4-ylethyl)thiourea
CID 87225603
(1-Cyclohexyl-2-morpholin-4-ylethyl)thiourea
CID 87424706
1-Cyclohexyl-3-(morpholin-2-ylmethyl)thiourea
CID 87662883
1-Cyclohexyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 87850162
1-Cyclohexyl-3-(1-morpholin-4-ylpropyl)thiourea
CID 87925608
4-methyl-N-(morpholin-4-ylmethyl)cyclohexan-1-amine
CID 143959209
1-Cyclohexyl-3-(2-morpholin-2-ylethyl)thiourea
CID 174826696

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide (CID 26536311) is (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide is C[C@@H]1CN(C(=S)N[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide?
The InChIKey is QUFVLFPSIYBMPO-WUHRBBMRSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10-6-4-5-7-13(10)15-14(18)16-8-11(2)17-12(3)9-16/h10-13H,4-9H2,1-3H3,(H,15,18)/t10-,11-,12+,13+/m0/s1.
What are the key properties of (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide?
(2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide has a molecular weight of 270.44 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]morpholine-4-carbothioamide is sourced from PubChem (CID 26536311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).