N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide

C10H18N2OS — CID 115580686

IUPACN-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(=S)NC2CC2)CCO1
InChIInChI=1S/C10H18N2OS/c1-10(2)7-12(5-6-13-10)9(14)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyDLHYHZDKASIJBV-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.13
Rot. Bonds1

About N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide

N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide (PubChem CID 115580686) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
PubChem CID115580686
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(=S)NC2CC2)CCO1
InChIInChI=1S/C10H18N2OS/c1-10(2)7-12(5-6-13-10)9(14)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyDLHYHZDKASIJBV-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide (CID 115580686) is N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide is CC1(C)CN(C(=S)NC2CC2)CCO1.
What is the InChIKey of N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide?
The InChIKey is DLHYHZDKASIJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2)7-12(5-6-13-10)9(14)11-8-3-4-8/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide?
N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide has a molecular weight of 214.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 115580686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).