N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide

C9H19NO4S — CID 79589482

IUPACN-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)N(CCO)C1CCCC1
InChIInChI=1S/C9H19NO4S/c11-6-5-10(9-3-1-2-4-9)15(13,14)8-7-12/h9,11-12H,1-8H2
InChIKeyNUQQLJLDGKMAAO-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.45
Rot. Bonds6

About N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide

N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 79589482) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID79589482
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)N(CCO)C1CCCC1
InChIInChI=1S/C9H19NO4S/c11-6-5-10(9-3-1-2-4-9)15(13,14)8-7-12/h9,11-12H,1-8H2
InChIKeyNUQQLJLDGKMAAO-UHFFFAOYSA-N
XLogP-0.45
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide (CID 79589482) is N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide is O=S(=O)(CCO)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is NUQQLJLDGKMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c11-6-5-10(9-3-1-2-4-9)15(13,14)8-7-12/h9,11-12H,1-8H2.
What are the key properties of N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide?
N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 237.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 79589482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).