N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide

C11H23NO3S — CID 79578687

IUPACN-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)CCO)CC1
InChIInChI=1S/C11H23NO3S/c1-2-10-3-5-11(6-4-10)9-12-16(14,15)8-7-13/h10-13H,2-9H2,1H3
InChIKeyQLDHCWHEGHBZPP-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.11
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide

N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide (PubChem CID 79578687) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide
PubChem CID79578687
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide
SMILESCCC1CCC(CNS(=O)(=O)CCO)CC1
InChIInChI=1S/C11H23NO3S/c1-2-10-3-5-11(6-4-10)9-12-16(14,15)8-7-13/h10-13H,2-9H2,1H3
InChIKeyQLDHCWHEGHBZPP-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide (CID 79578687) is N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide is CCC1CCC(CNS(=O)(=O)CCO)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide?
The InChIKey is QLDHCWHEGHBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-10-3-5-11(6-4-10)9-12-16(14,15)8-7-13/h10-13H,2-9H2,1H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide?
N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 79578687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).