N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

C10H22N2O3S — CID 63245991

IUPACN-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C10H22N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeyAWAHBZAYYDTJDF-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.07
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide

N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (PubChem CID 63245991) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
PubChem CID63245991
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C10H22N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8,11H2,1H3
InChIKeyAWAHBZAYYDTJDF-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide (CID 63245991) is N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
The InChIKey is AWAHBZAYYDTJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-15-6-7-16(13,14)12-10-5-3-4-9(10)8-11/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63245991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).