N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine

C11H21NO3S — CID 65046875

IUPACN-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=COCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-3-15-9-5-8-12-10-6-4-7-11(10)16(2,13)14/h3,10-12H,1,4-9H2,2H3
InChIKeyCYVJLXBYEKYPNV-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.09
Rot. Bonds7

About N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65046875) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65046875
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESC=COCCCNC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO3S/c1-3-15-9-5-8-12-10-6-4-7-11(10)16(2,13)14/h3,10-12H,1,4-9H2,2H3
InChIKeyCYVJLXBYEKYPNV-UHFFFAOYSA-N
XLogP1.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine (CID 65046875) is N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine is C=COCCCNC1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is CYVJLXBYEKYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-15-9-5-8-12-10-6-4-7-11(10)16(2,13)14/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65046875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).