N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide

C12H22N2OS — CID 19654295

IUPACN-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCC1CN(C(=S)NC2CCCC2)CC(C)O1
InChIInChI=1S/C12H22N2OS/c1-9-7-14(8-10(2)15-9)12(16)13-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeyLMNVDVKUVUJRGO-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.91
Rot. Bonds1

About N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide

N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide (PubChem CID 19654295) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide
PubChem CID19654295
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide
SMILESCC1CN(C(=S)NC2CCCC2)CC(C)O1
InChIInChI=1S/C12H22N2OS/c1-9-7-14(8-10(2)15-9)12(16)13-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,13,16)
InChIKeyLMNVDVKUVUJRGO-UHFFFAOYSA-N
XLogP1.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.91
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-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide (CID 19654295) is N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide is CC1CN(C(=S)NC2CCCC2)CC(C)O1.
What is the InChIKey of N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide?
The InChIKey is LMNVDVKUVUJRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-7-14(8-10(2)15-9)12(16)13-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,13,16).
What are the key properties of N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide?
N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide has a molecular weight of 242.39 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 19654295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).