(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide

C9H19NO4S — CID 167629578

IUPAC(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide
SMILESCON(C)S(=O)(=O)C[C@@H](O)C1CCCC1
InChIInChI=1S/C9H19NO4S/c1-10(14-2)15(12,13)7-9(11)8-5-3-4-6-8/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyNPERDBXNVAETBS-SECBINFHSA-N
MW237.32 g/mol
LogP0.36
Rot. Bonds5

About (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide

(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide (PubChem CID 167629578) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide
PubChem CID167629578
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide
SMILESCON(C)S(=O)(=O)C[C@@H](O)C1CCCC1
InChIInChI=1S/C9H19NO4S/c1-10(14-2)15(12,13)7-9(11)8-5-3-4-6-8/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyNPERDBXNVAETBS-SECBINFHSA-N
XLogP0.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-methylsulfonylethanol
CID 115601024
2-cycloheptyl-2-hydroxyethanesulfonic acid
CID 115033560
2-cyclopentyl-2-hydroxyethanesulfonamide
CID 115019545
2-cycloheptyl-2-hydroxyethanesulfonyl fluoride
CID 115034579
2-cyclopropyl-2-hydroxyethanesulfonamide
CID 115013055
1-cycloheptyl-4-ethylsulfonylbutan-1-ol
CID 65399225
methyl 4-cyclohexyl-4-hydroxybutanoate
CID 18981365
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-cyclopentyl-3-[ethyl(methyl)amino]propan-1-ol
CID 45098609
1-cyclohexyl-2-[dimethoxy(methyl)silyl]ethanol
CID 91181976
1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
CID 104968497

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide?
The IUPAC name of (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide (CID 167629578) is (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide?
The canonical SMILES for (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide is CON(C)S(=O)(=O)C[C@@H](O)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide?
The InChIKey is NPERDBXNVAETBS-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-10(14-2)15(12,13)7-9(11)8-5-3-4-6-8/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide?
(2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide has a molecular weight of 237.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-hydroxy-N-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 167629578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).