N-benzylmorpholine-4-carbothioamide

C12H16N2OS — CID 10014354

IUPACN-benzylmorpholine-4-carbothioamide
SMILESS=C(NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H16N2OS/c16-12(14-6-8-15-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,16)
InChIKeyMZCVDIYHFQFIGK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.39
Rot. Bonds2

About N-benzylmorpholine-4-carbothioamide

N-benzylmorpholine-4-carbothioamide (PubChem CID 10014354) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-benzylmorpholine-4-carbothioamide.

Molecular Properties

Compound NameN-benzylmorpholine-4-carbothioamide
PubChem CID10014354
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-benzylmorpholine-4-carbothioamide
SMILESS=C(NCc1ccccc1)N1CCOCC1
InChIInChI=1S/C12H16N2OS/c16-12(14-6-8-15-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,16)
InChIKeyMZCVDIYHFQFIGK-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.39
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-benzylmorpholine-4-carbothioamide?
The IUPAC name of N-benzylmorpholine-4-carbothioamide (CID 10014354) is N-benzylmorpholine-4-carbothioamide.
What is the SMILES notation for N-benzylmorpholine-4-carbothioamide?
The canonical SMILES for N-benzylmorpholine-4-carbothioamide is S=C(NCc1ccccc1)N1CCOCC1.
What is the InChIKey of N-benzylmorpholine-4-carbothioamide?
The InChIKey is MZCVDIYHFQFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c16-12(14-6-8-15-9-7-14)13-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,16).
What are the key properties of N-benzylmorpholine-4-carbothioamide?
N-benzylmorpholine-4-carbothioamide has a molecular weight of 236.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylmorpholine-4-carbothioamide is sourced from PubChem (CID 10014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).