N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine

C10H19NO2S — CID 114615956

IUPACN-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(C)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-8(2)7-11-9-5-4-6-10(9)14(3,12)13/h9-11H,1,4-7H2,2-3H3
InChIKeyWSAQNEVRALJWLR-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds4

About N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine

N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 114615956) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID114615956
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(C)CNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C10H19NO2S/c1-8(2)7-11-9-5-4-6-10(9)14(3,12)13/h9-11H,1,4-7H2,2-3H3
InChIKeyWSAQNEVRALJWLR-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
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 N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine (CID 114615956) is N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine is C=C(C)CNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is WSAQNEVRALJWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)7-11-9-5-4-6-10(9)14(3,12)13/h9-11H,1,4-7H2,2-3H3.
What are the key properties of N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 114615956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).