(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide

C10H17N3O2S — CID 135083634

IUPAC(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
SMILESS=C(/N=C\N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2/b11-9-
InChIKeyIXBQZVBUUKDFPW-LUAWRHEFSA-N
MW243.33 g/mol
LogP-0.04
Rot. Bonds1

About (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide

(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide (PubChem CID 135083634) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide.

Molecular Properties

Compound Name(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
PubChem CID135083634
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide
SMILESS=C(/N=C\N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2/b11-9-
InChIKeyIXBQZVBUUKDFPW-LUAWRHEFSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The IUPAC name of (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide (CID 135083634) is (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide.
What is the SMILES notation for (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The canonical SMILES for (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide is S=C(/N=C\N1CCOCC1)N1CCOCC1.
What is the InChIKey of (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
The InChIKey is IXBQZVBUUKDFPW-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H17N3O2S/c16-10(13-3-7-15-8-4-13)11-9-12-1-5-14-6-2-12/h9H,1-8H2/b11-9-.
What are the key properties of (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide?
(NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide has a molecular weight of 243.33 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(morpholin-4-ylmethylidene)morpholine-4-carbothioamide is sourced from PubChem (CID 135083634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).