N-morpholin-4-ylsulfinylformamide

C5H10N2O3S — CID 153341320

IUPACN-morpholin-4-ylsulfinylformamide
SMILESO=CNS(=O)N1CCOCC1
InChIInChI=1S/C5H10N2O3S/c8-5-6-11(9)7-1-3-10-4-2-7/h5H,1-4H2,(H,6,8)
InChIKeyAMMJNPLWMHMDMN-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.36
Rot. Bonds3

About N-morpholin-4-ylsulfinylformamide

N-morpholin-4-ylsulfinylformamide (PubChem CID 153341320) has the molecular formula C5H10N2O3S and a molecular weight of 178.21 g/mol. Its IUPAC name is N-morpholin-4-ylsulfinylformamide.

Molecular Properties

Compound NameN-morpholin-4-ylsulfinylformamide
PubChem CID153341320
Molecular FormulaC5H10N2O3S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC NameN-morpholin-4-ylsulfinylformamide
SMILESO=CNS(=O)N1CCOCC1
InChIInChI=1S/C5H10N2O3S/c8-5-6-11(9)7-1-3-10-4-2-7/h5H,1-4H2,(H,6,8)
InChIKeyAMMJNPLWMHMDMN-UHFFFAOYSA-N
XLogP-1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-ylsulfinylformamide?
The IUPAC name of N-morpholin-4-ylsulfinylformamide (CID 153341320) is N-morpholin-4-ylsulfinylformamide.
What is the SMILES notation for N-morpholin-4-ylsulfinylformamide?
The canonical SMILES for N-morpholin-4-ylsulfinylformamide is O=CNS(=O)N1CCOCC1.
What is the InChIKey of N-morpholin-4-ylsulfinylformamide?
The InChIKey is AMMJNPLWMHMDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3S/c8-5-6-11(9)7-1-3-10-4-2-7/h5H,1-4H2,(H,6,8).
What are the key properties of N-morpholin-4-ylsulfinylformamide?
N-morpholin-4-ylsulfinylformamide has a molecular weight of 178.21 g/mol, XLogP of -1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-ylsulfinylformamide is sourced from PubChem (CID 153341320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).