CID 10526096

C18H20NOS — CID 10526096

IUPAC—
SMILESCC(C)(C)[C@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C18H20NOS/c1-18(2,3)16-12-20-17(19-16)14-10-7-11-15(14)21-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3/t16-/m1/s1
InChIKeyVYRDDRLPFCDKKP-MRXNPFEDSA-N
MW298.43 g/mol
LogP4.36
Rot. Bonds3

About CID 10526096

CID 10526096 (PubChem CID 10526096) has the molecular formula C18H20NOS and a molecular weight of 298.43 g/mol.

Molecular Properties

Compound NameCID 10526096
PubChem CID10526096
Molecular FormulaC18H20NOS
Molecular Weight298.43 g/mol
Exact Mass298.13
IUPAC Name—
SMILESCC(C)(C)[C@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C18H20NOS/c1-18(2,3)16-12-20-17(19-16)14-10-7-11-15(14)21-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3/t16-/m1/s1
InChIKeyVYRDDRLPFCDKKP-MRXNPFEDSA-N
XLogP4.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10526096?
The IUPAC name of CID 10526096 (CID 10526096) is not available.
What is the SMILES notation for CID 10526096?
The canonical SMILES for CID 10526096 is CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.
What is the InChIKey of CID 10526096?
The InChIKey is VYRDDRLPFCDKKP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20NOS/c1-18(2,3)16-12-20-17(19-16)14-10-7-11-15(14)21-13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3/t16-/m1/s1.
What are the key properties of CID 10526096?
CID 10526096 has a molecular weight of 298.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10526096 is sourced from PubChem (CID 10526096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).