2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide

C10H18N2OS — CID 17276173

IUPAC2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide
SMILESC=CCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C10H18N2OS/c1-4-5-11-10(14)12-6-8(2)13-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,14)
InChIKeySGJLWNRMGINHOX-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.16
Rot. Bonds2

About 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide

2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide (PubChem CID 17276173) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide.

Molecular Properties

Compound Name2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide
PubChem CID17276173
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide
SMILESC=CCNC(=S)N1CC(C)OC(C)C1
InChIInChI=1S/C10H18N2OS/c1-4-5-11-10(14)12-6-8(2)13-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,14)
InChIKeySGJLWNRMGINHOX-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide?
The IUPAC name of 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide (CID 17276173) is 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide.
What is the SMILES notation for 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide?
The canonical SMILES for 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide is C=CCNC(=S)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide?
The InChIKey is SGJLWNRMGINHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-11-10(14)12-6-8(2)13-9(3)7-12/h4,8-9H,1,5-7H2,2-3H3,(H,11,14).
What are the key properties of 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide?
2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide has a molecular weight of 214.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-prop-2-enylmorpholine-4-carbothioamide is sourced from PubChem (CID 17276173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).