2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine

C11H21NO2S — CID 65353089

IUPAC2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(S(C)(=O)=O)CC=CC1
InChIInChI=1S/C11H21NO2S/c1-10(2)8-12-9-11(15(3,13)14)6-4-5-7-11/h4-5,10,12H,6-9H2,1-3H3
InChIKeyZBUORCNZTDEPRJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine

2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine (PubChem CID 65353089) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine
PubChem CID65353089
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1(S(C)(=O)=O)CC=CC1
InChIInChI=1S/C11H21NO2S/c1-10(2)8-12-9-11(15(3,13)14)6-4-5-7-11/h4-5,10,12H,6-9H2,1-3H3
InChIKeyZBUORCNZTDEPRJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine (CID 65353089) is 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine is CC(C)CNCC1(S(C)(=O)=O)CC=CC1.
What is the InChIKey of 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The InChIKey is ZBUORCNZTDEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-10(2)8-12-9-11(15(3,13)14)6-4-5-7-11/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine?
2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylsulfonylcyclopent-3-en-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 65353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).