cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate

C10H19NO4S — CID 145423968

IUPACcyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate
SMILESCC(CCONSO)C(=O)OC1CCCC1
InChIInChI=1S/C10H19NO4S/c1-8(6-7-14-11-16-13)10(12)15-9-4-2-3-5-9/h8-9,11,13H,2-7H2,1H3
InChIKeyMUGOHBGVSLXTOG-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.14
Rot. Bonds7

About cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate

cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate (PubChem CID 145423968) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate.

Molecular Properties

Compound Namecyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate
PubChem CID145423968
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namecyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate
SMILESCC(CCONSO)C(=O)OC1CCCC1
InChIInChI=1S/C10H19NO4S/c1-8(6-7-14-11-16-13)10(12)15-9-4-2-3-5-9/h8-9,11,13H,2-7H2,1H3
InChIKeyMUGOHBGVSLXTOG-UHFFFAOYSA-N
XLogP2.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate?
The IUPAC name of cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate (CID 145423968) is cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate.
What is the SMILES notation for cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate?
The canonical SMILES for cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate is CC(CCONSO)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate?
The InChIKey is MUGOHBGVSLXTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(6-7-14-11-16-13)10(12)15-9-4-2-3-5-9/h8-9,11,13H,2-7H2,1H3.
What are the key properties of cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate?
cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate has a molecular weight of 249.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(hydroxysulfanylamino)oxy-2-methylbutanoate is sourced from PubChem (CID 145423968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).