6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine

C14H28N2O2S — CID 84596278

IUPAC6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-12(2)7-5-8-13(3)15-11-14-9-6-10-16(14)19(4,17)18/h7,13-15H,5-6,8-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyJHGGKWJZCJEIDM-ARLHGKGLSA-N
MW288.46 g/mol
LogP2.13
Rot. Bonds7

About 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine

6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine (PubChem CID 84596278) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine
PubChem CID84596278
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NC[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-12(2)7-5-8-13(3)15-11-14-9-6-10-16(14)19(4,17)18/h7,13-15H,5-6,8-11H2,1-4H3/t13?,14-/m1/s1
InChIKeyJHGGKWJZCJEIDM-ARLHGKGLSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-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 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine (CID 84596278) is 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine is CC(C)=CCCC(C)NC[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine?
The InChIKey is JHGGKWJZCJEIDM-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)7-5-8-13(3)15-11-14-9-6-10-16(14)19(4,17)18/h7,13-15H,5-6,8-11H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine?
6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine has a molecular weight of 288.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]hept-5-en-2-amine is sourced from PubChem (CID 84596278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).