CID 134888027

C15H19NOS — CID 134888027

IUPAC—
SMILESCS[C]/C(=C(\O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-18-12-14(13-8-4-2-5-9-13)15(17)16-10-6-3-7-11-16/h2,4-5,8-9,17H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyDLIZTZWGKHCSDX-CCEZHUSRSA-N
MW261.39 g/mol
LogP3.80
Rot. Bonds4

About CID 134888027

CID 134888027 (PubChem CID 134888027) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol.

Molecular Properties

Compound NameCID 134888027
PubChem CID134888027
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name—
SMILESCS[C]/C(=C(\O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-18-12-14(13-8-4-2-5-9-13)15(17)16-10-6-3-7-11-16/h2,4-5,8-9,17H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyDLIZTZWGKHCSDX-CCEZHUSRSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134888027?
The IUPAC name of CID 134888027 (CID 134888027) is not available.
What is the SMILES notation for CID 134888027?
The canonical SMILES for CID 134888027 is CS[C]/C(=C(\O)N1CCCCC1)c1ccccc1.
What is the InChIKey of CID 134888027?
The InChIKey is DLIZTZWGKHCSDX-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H19NOS/c1-18-12-14(13-8-4-2-5-9-13)15(17)16-10-6-3-7-11-16/h2,4-5,8-9,17H,3,6-7,10-11H2,1H3/b15-14+.
What are the key properties of CID 134888027?
CID 134888027 has a molecular weight of 261.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888027 is sourced from PubChem (CID 134888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).