N-(4-methoxybutyl)thiomorpholine-4-carboxamide

C10H20N2O2S — CID 52656741

IUPACN-(4-methoxybutyl)thiomorpholine-4-carboxamide
SMILESCOCCCCNC(=O)N1CCSCC1
InChIInChI=1S/C10H20N2O2S/c1-14-7-3-2-4-11-10(13)12-5-8-15-9-6-12/h2-9H2,1H3,(H,11,13)
InChIKeyDXFGQZWMJFRVMG-UHFFFAOYSA-N
MW232.35 g/mol
LogP1.17
Rot. Bonds5

About N-(4-methoxybutyl)thiomorpholine-4-carboxamide

N-(4-methoxybutyl)thiomorpholine-4-carboxamide (PubChem CID 52656741) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(4-methoxybutyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)thiomorpholine-4-carboxamide
PubChem CID52656741
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(4-methoxybutyl)thiomorpholine-4-carboxamide
SMILESCOCCCCNC(=O)N1CCSCC1
InChIInChI=1S/C10H20N2O2S/c1-14-7-3-2-4-11-10(13)12-5-8-15-9-6-12/h2-9H2,1H3,(H,11,13)
InChIKeyDXFGQZWMJFRVMG-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(4-methoxybutyl)thiomorpholine-4-carboxamide (CID 52656741) is N-(4-methoxybutyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)thiomorpholine-4-carboxamide is COCCCCNC(=O)N1CCSCC1.
What is the InChIKey of N-(4-methoxybutyl)thiomorpholine-4-carboxamide?
The InChIKey is DXFGQZWMJFRVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-14-7-3-2-4-11-10(13)12-5-8-15-9-6-12/h2-9H2,1H3,(H,11,13).
What are the key properties of N-(4-methoxybutyl)thiomorpholine-4-carboxamide?
N-(4-methoxybutyl)thiomorpholine-4-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 52656741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).