2-[(3-methylcyclohexyl)amino]ethanesulfonamide

C9H20N2O2S — CID 43551957

IUPAC2-[(3-methylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCCC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8-3-2-4-9(7-8)11-5-6-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeySDLZCCDUYQHBNY-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.44
Rot. Bonds4

About 2-[(3-methylcyclohexyl)amino]ethanesulfonamide

2-[(3-methylcyclohexyl)amino]ethanesulfonamide (PubChem CID 43551957) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]ethanesulfonamide
PubChem CID43551957
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-[(3-methylcyclohexyl)amino]ethanesulfonamide
SMILESCC1CCCC(NCCS(N)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-8-3-2-4-9(7-8)11-5-6-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeySDLZCCDUYQHBNY-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-[(3-methylcyclohexyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]ethanesulfonamide (CID 43551957) is 2-[(3-methylcyclohexyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]ethanesulfonamide is CC1CCCC(NCCS(N)(=O)=O)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]ethanesulfonamide?
The InChIKey is SDLZCCDUYQHBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-3-2-4-9(7-8)11-5-6-14(10,12)13/h8-9,11H,2-7H2,1H3,(H2,10,12,13).
What are the key properties of 2-[(3-methylcyclohexyl)amino]ethanesulfonamide?
2-[(3-methylcyclohexyl)amino]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-[(3-methylcyclohexyl)amino]ethanesulfonamide is sourced from PubChem (CID 43551957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).