2-amino-N-(2-methylcyclohexyl)ethanesulfonamide

C9H20N2O2S — CID 16786589

IUPAC2-amino-N-(2-methylcyclohexyl)ethanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-8-4-2-3-5-9(8)11-14(12,13)7-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyIRWFLRLYQWCQME-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds4

About 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide

2-amino-N-(2-methylcyclohexyl)ethanesulfonamide (PubChem CID 16786589) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylcyclohexyl)ethanesulfonamide
PubChem CID16786589
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-(2-methylcyclohexyl)ethanesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)CCN
InChIInChI=1S/C9H20N2O2S/c1-8-4-2-3-5-9(8)11-14(12,13)7-6-10/h8-9,11H,2-7,10H2,1H3
InChIKeyIRWFLRLYQWCQME-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-methylcyclohexyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide (CID 16786589) is 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide is CC1CCCCC1NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide?
The InChIKey is IRWFLRLYQWCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-4-2-3-5-9(8)11-14(12,13)7-6-10/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-amino-N-(2-methylcyclohexyl)ethanesulfonamide?
2-amino-N-(2-methylcyclohexyl)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-methylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 16786589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).