N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide

C12H23N3S — CID 109485097

IUPACN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C12H23N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyYAIIZRLIYDNPSZ-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.97
Rot. Bonds4

About N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide

N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide (PubChem CID 109485097) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide
PubChem CID109485097
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide
SMILESC=CC/N=C(\NCC)N1CCSC(CC)C1
InChIInChI=1S/C12H23N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14)
InChIKeyYAIIZRLIYDNPSZ-UHFFFAOYSA-N
XLogP1.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide (CID 109485097) is N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide is C=CC/N=C(\NCC)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide?
The InChIKey is YAIIZRLIYDNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-7-14-12(13-6-3)15-8-9-16-11(5-2)10-15/h4,11H,1,5-10H2,2-3H3,(H,13,14).
What are the key properties of N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide?
N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide has a molecular weight of 241.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-prop-2-enylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).