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

C9H20N2O3S — CID 62955692

IUPACN-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C9H20N2O3S/c1-14-5-6-15(12,13)11-9-4-2-3-8(9)7-10/h8-9,11H,2-7,10H2,1H3
InChIKeyYQVOCEIKBLWIOO-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.32
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide (PubChem CID 62955692) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
PubChem CID62955692
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C9H20N2O3S/c1-14-5-6-15(12,13)11-9-4-2-3-8(9)7-10/h8-9,11H,2-7,10H2,1H3
InChIKeyYQVOCEIKBLWIOO-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide (CID 62955692) is N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide?
The InChIKey is YQVOCEIKBLWIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-5-6-15(12,13)11-9-4-2-3-8(9)7-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide?
N-[2-(aminomethyl)cyclopentyl]-2-methoxyethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.32, 6 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-methoxyethanesulfonamide is sourced from PubChem (CID 62955692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).