2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide

C9H20N2O2S — CID 79871680

IUPAC2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-9(2)5-3-4-8(9)11-14(12,13)7-6-10/h8,11H,3-7,10H2,1-2H3
InChIKeyLGQQFNCBJDXKKU-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide

2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide (PubChem CID 79871680) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide
PubChem CID79871680
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-9(2)5-3-4-8(9)11-14(12,13)7-6-10/h8,11H,3-7,10H2,1-2H3
InChIKeyLGQQFNCBJDXKKU-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide (CID 79871680) is 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide is CC1(C)CCCC1NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide?
The InChIKey is LGQQFNCBJDXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)5-3-4-8(9)11-14(12,13)7-6-10/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide?
2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopentyl)ethanesulfonamide is sourced from PubChem (CID 79871680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).