N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide

C11H20N2O2S — CID 114776563

IUPACN-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(=S)NC2CC2)CC(CO)O1
InChIInChI=1S/C11H20N2O2S/c1-11(2)7-13(5-9(6-14)15-11)10(16)12-8-3-4-8/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyLHWDCRLELXMWCY-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.50
Rot. Bonds2

About N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide

N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide (PubChem CID 114776563) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
PubChem CID114776563
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide
SMILESCC1(C)CN(C(=S)NC2CC2)CC(CO)O1
InChIInChI=1S/C11H20N2O2S/c1-11(2)7-13(5-9(6-14)15-11)10(16)12-8-3-4-8/h8-9,14H,3-7H2,1-2H3,(H,12,16)
InChIKeyLHWDCRLELXMWCY-UHFFFAOYSA-N
XLogP0.50
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The IUPAC name of N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide (CID 114776563) is N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide.
What is the SMILES notation for N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The canonical SMILES for N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide is CC1(C)CN(C(=S)NC2CC2)CC(CO)O1.
What is the InChIKey of N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
The InChIKey is LHWDCRLELXMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2)7-13(5-9(6-14)15-11)10(16)12-8-3-4-8/h8-9,14H,3-7H2,1-2H3,(H,12,16).
What are the key properties of N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide?
N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide has a molecular weight of 244.36 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbothioamide is sourced from PubChem (CID 114776563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).