CID 59097310

C10H17BNO3S — CID 59097310

IUPAC—
SMILES[3H][B]SO[C@H]1[C@@H]2COC(C)(C)N2C(=O)C1(C)C
InChIInChI=1S/C10H17BNO3S/c1-9(2)7(15-16-11)6-5-14-10(3,4)12(6)8(9)13/h6-7,11H,5H2,1-4H3/t6-,7-/m0/s1/i11T
InChIKeyXVQAIMOSQRWKHJ-LLUNKQOASA-N
MW244.14 g/mol
LogP0.84
Rot. Bonds3

About CID 59097310

CID 59097310 (PubChem CID 59097310) has the molecular formula C10H17BNO3S and a molecular weight of 244.14 g/mol.

Molecular Properties

Compound NameCID 59097310
PubChem CID59097310
Molecular FormulaC10H17BNO3S
Molecular Weight244.14 g/mol
Exact Mass244.11
IUPAC Name—
SMILES[3H][B]SO[C@H]1[C@@H]2COC(C)(C)N2C(=O)C1(C)C
InChIInChI=1S/C10H17BNO3S/c1-9(2)7(15-16-11)6-5-14-10(3,4)12(6)8(9)13/h6-7,11H,5H2,1-4H3/t6-,7-/m0/s1/i11T
InChIKeyXVQAIMOSQRWKHJ-LLUNKQOASA-N
XLogP0.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59097310?
The IUPAC name of CID 59097310 (CID 59097310) is not available.
What is the SMILES notation for CID 59097310?
The canonical SMILES for CID 59097310 is [3H][B]SO[C@H]1[C@@H]2COC(C)(C)N2C(=O)C1(C)C.
What is the InChIKey of CID 59097310?
The InChIKey is XVQAIMOSQRWKHJ-LLUNKQOASA-N. The full InChI is InChI=1S/C10H17BNO3S/c1-9(2)7(15-16-11)6-5-14-10(3,4)12(6)8(9)13/h6-7,11H,5H2,1-4H3/t6-,7-/m0/s1/i11T.
What are the key properties of CID 59097310?
CID 59097310 has a molecular weight of 244.14 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59097310 is sourced from PubChem (CID 59097310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).