N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide

C9H20N4OS — CID 104883435

IUPACN-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCSCC1
InChIInChI=1S/C9H20N4OS/c1-14-6-2-3-11-9(12-10)13-4-7-15-8-5-13/h2-8,10H2,1H3,(H,11,12)
InChIKeyLHOUJVUIWRECTF-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.11
Rot. Bonds4

About N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide

N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide (PubChem CID 104883435) has the molecular formula C9H20N4OS and a molecular weight of 232.35 g/mol. Its IUPAC name is N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide
PubChem CID104883435
Molecular FormulaC9H20N4OS
Molecular Weight232.35 g/mol
Exact Mass232.14
IUPAC NameN-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide
SMILESCOCCC/N=C(\NN)N1CCSCC1
InChIInChI=1S/C9H20N4OS/c1-14-6-2-3-11-9(12-10)13-4-7-15-8-5-13/h2-8,10H2,1H3,(H,11,12)
InChIKeyLHOUJVUIWRECTF-UHFFFAOYSA-N
XLogP-0.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide (CID 104883435) is N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide is COCCC/N=C(\NN)N1CCSCC1.
What is the InChIKey of N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide?
The InChIKey is LHOUJVUIWRECTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4OS/c1-14-6-2-3-11-9(12-10)13-4-7-15-8-5-13/h2-8,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide?
N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide has a molecular weight of 232.35 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(3-methoxypropyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 104883435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).