N-(cyclopentylmethyl)-2-ethylsulfonylethanamine

C10H21NO2S — CID 43807728

IUPACN-(cyclopentylmethyl)-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCC1CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3
InChIKeyBDPFDGAZSPMVEF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds6

About N-(cyclopentylmethyl)-2-ethylsulfonylethanamine

N-(cyclopentylmethyl)-2-ethylsulfonylethanamine (PubChem CID 43807728) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-ethylsulfonylethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-ethylsulfonylethanamine
PubChem CID43807728
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(cyclopentylmethyl)-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCC1CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3
InChIKeyBDPFDGAZSPMVEF-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-ethylsulfonylethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-ethylsulfonylethanamine (CID 43807728) is N-(cyclopentylmethyl)-2-ethylsulfonylethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-ethylsulfonylethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-ethylsulfonylethanamine is CCS(=O)(=O)CCNCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-ethylsulfonylethanamine?
The InChIKey is BDPFDGAZSPMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-14(12,13)8-7-11-9-10-5-3-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-ethylsulfonylethanamine?
N-(cyclopentylmethyl)-2-ethylsulfonylethanamine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-ethylsulfonylethanamine is sourced from PubChem (CID 43807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).