(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

C10H21NO2S — CID 90058864

IUPAC(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-4-5-6-8-11(2)9-7-10-14(3,12)13/h5-6H,4,7-10H2,1-3H3/b6-5+
InChIKeyFIUVDCOUOHSVHY-AATRIKPKSA-N
MW219.35 g/mol
LogP1.32
Rot. Bonds7

About (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine

(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (PubChem CID 90058864) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
PubChem CID90058864
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
SMILESCC/C=C/CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-4-5-6-8-11(2)9-7-10-14(3,12)13/h5-6H,4,7-10H2,1-3H3/b6-5+
InChIKeyFIUVDCOUOHSVHY-AATRIKPKSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-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 (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine (CID 90058864) is (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is CC/C=C/CN(C)CCCS(C)(=O)=O.
What is the InChIKey of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
The InChIKey is FIUVDCOUOHSVHY-AATRIKPKSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-5-6-8-11(2)9-7-10-14(3,12)13/h5-6H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine?
(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine is sourced from PubChem (CID 90058864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).