N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide

C12H20N2OS — CID 144925775

IUPACN-(4-ethylphenyl)sulfanylethanamine;N-methylformamide
SMILESCCNSc1ccc(CC)cc1.CNC=O
InChIInChI=1S/C10H15NS.C2H5NO/c1-3-9-5-7-10(8-6-9)12-11-4-2;1-3-2-4/h5-8,11H,3-4H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyXUQOLEWRDHIUSN-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.23
Rot. Bonds5

About N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide

N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide (PubChem CID 144925775) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)sulfanylethanamine;N-methylformamide
PubChem CID144925775
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(4-ethylphenyl)sulfanylethanamine;N-methylformamide
SMILESCCNSc1ccc(CC)cc1.CNC=O
InChIInChI=1S/C10H15NS.C2H5NO/c1-3-9-5-7-10(8-6-9)12-11-4-2;1-3-2-4/h5-8,11H,3-4H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyXUQOLEWRDHIUSN-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide?
The IUPAC name of N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide (CID 144925775) is N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide.
What is the SMILES notation for N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide?
The canonical SMILES for N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide is CCNSc1ccc(CC)cc1.CNC=O.
What is the InChIKey of N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide?
The InChIKey is XUQOLEWRDHIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.C2H5NO/c1-3-9-5-7-10(8-6-9)12-11-4-2;1-3-2-4/h5-8,11H,3-4H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide?
N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide has a molecular weight of 240.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide is sourced from PubChem (CID 144925775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).