N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine

C8H19NOS — CID 86745130

IUPACN-ethyl-3-[(S)-propylsulfinyl]propan-1-amine
SMILESCCC[S@](=O)CCCNCC
InChIInChI=1S/C8H19NOS/c1-3-7-11(10)8-5-6-9-4-2/h9H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyMNZUQICTERRLAY-NSHDSACASA-N
MW177.31 g/mol
LogP1.14
Rot. Bonds7

About N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine

N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine (PubChem CID 86745130) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(S)-propylsulfinyl]propan-1-amine
PubChem CID86745130
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-ethyl-3-[(S)-propylsulfinyl]propan-1-amine
SMILESCCC[S@](=O)CCCNCC
InChIInChI=1S/C8H19NOS/c1-3-7-11(10)8-5-6-9-4-2/h9H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyMNZUQICTERRLAY-NSHDSACASA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine?
The IUPAC name of N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine (CID 86745130) is N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine is CCC[S@](=O)CCCNCC.
What is the InChIKey of N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine?
The InChIKey is MNZUQICTERRLAY-NSHDSACASA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-7-11(10)8-5-6-9-4-2/h9H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine?
N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(S)-propylsulfinyl]propan-1-amine is sourced from PubChem (CID 86745130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).