N-ethyl-N-phenylsulfanylethanamine

C10H15NS — CID 11182991

IUPACN-ethyl-N-phenylsulfanylethanamine
SMILESCCN(CC)Sc1ccccc1
InChIInChI=1S/C10H15NS/c1-3-11(4-2)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyOPHVSTKKDLVJDZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.04
Rot. Bonds4

About N-ethyl-N-phenylsulfanylethanamine

N-ethyl-N-phenylsulfanylethanamine (PubChem CID 11182991) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-ethyl-N-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-N-phenylsulfanylethanamine
PubChem CID11182991
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-N-phenylsulfanylethanamine
SMILESCCN(CC)Sc1ccccc1
InChIInChI=1S/C10H15NS/c1-3-11(4-2)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyOPHVSTKKDLVJDZ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylsulfanylethanamine?
The IUPAC name of N-ethyl-N-phenylsulfanylethanamine (CID 11182991) is N-ethyl-N-phenylsulfanylethanamine.
What is the SMILES notation for N-ethyl-N-phenylsulfanylethanamine?
The canonical SMILES for N-ethyl-N-phenylsulfanylethanamine is CCN(CC)Sc1ccccc1.
What is the InChIKey of N-ethyl-N-phenylsulfanylethanamine?
The InChIKey is OPHVSTKKDLVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-11(4-2)12-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-phenylsulfanylethanamine?
N-ethyl-N-phenylsulfanylethanamine has a molecular weight of 181.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylsulfanylethanamine is sourced from PubChem (CID 11182991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).