N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine

C11H21NO2S — CID 103522762

IUPACN-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCC(C)=CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-9(2)7-8-12-10-5-4-6-11(10)15(3,13)14/h7,10-12H,4-6,8H2,1-3H3
InChIKeyAVCVNZQONHFIJM-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds4

About N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 103522762) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID103522762
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCC(C)=CCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-9(2)7-8-12-10-5-4-6-11(10)15(3,13)14/h7,10-12H,4-6,8H2,1-3H3
InChIKeyAVCVNZQONHFIJM-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine (CID 103522762) is N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine is CC(C)=CCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is AVCVNZQONHFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(2)7-8-12-10-5-4-6-11(10)15(3,13)14/h7,10-12H,4-6,8H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 103522762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).