2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine

C11H21NO2S — CID 115901310

IUPAC2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
SMILESC/C=C/CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-3-4-5-9-12-10-7-6-8-11(10)15(2,13)14/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyNDUYLWKGDPBBMJ-ONEGZZNKSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds5

About 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine

2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine (PubChem CID 115901310) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
PubChem CID115901310
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
SMILESC/C=C/CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-3-4-5-9-12-10-7-6-8-11(10)15(2,13)14/h3-4,10-12H,5-9H2,1-2H3/b4-3+
InChIKeyNDUYLWKGDPBBMJ-ONEGZZNKSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine (CID 115901310) is 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine is C/C=C/CCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine?
The InChIKey is NDUYLWKGDPBBMJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-4-5-9-12-10-7-6-8-11(10)15(2,13)14/h3-4,10-12H,5-9H2,1-2H3/b4-3+.
What are the key properties of 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine?
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine is sourced from PubChem (CID 115901310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).