CID 59787779

C9H18NOS — CID 59787779

IUPAC—
SMILESCC1CCC(SCCC[NH])OC1
InChIInChI=1S/C9H18NOS/c1-8-3-4-9(11-7-8)12-6-2-5-10/h8-10H,2-7H2,1H3
InChIKeySUEWQHYFPQHZIY-UHFFFAOYSA-N
MW188.32 g/mol
LogP2.17
Rot. Bonds4

About CID 59787779

CID 59787779 (PubChem CID 59787779) has the molecular formula C9H18NOS and a molecular weight of 188.32 g/mol.

Molecular Properties

Compound NameCID 59787779
PubChem CID59787779
Molecular FormulaC9H18NOS
Molecular Weight188.32 g/mol
Exact Mass188.11
IUPAC Name—
SMILESCC1CCC(SCCC[NH])OC1
InChIInChI=1S/C9H18NOS/c1-8-3-4-9(11-7-8)12-6-2-5-10/h8-10H,2-7H2,1H3
InChIKeySUEWQHYFPQHZIY-UHFFFAOYSA-N
XLogP2.17
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59787779?
The IUPAC name of CID 59787779 (CID 59787779) is not available.
What is the SMILES notation for CID 59787779?
The canonical SMILES for CID 59787779 is CC1CCC(SCCC[NH])OC1.
What is the InChIKey of CID 59787779?
The InChIKey is SUEWQHYFPQHZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOS/c1-8-3-4-9(11-7-8)12-6-2-5-10/h8-10H,2-7H2,1H3.
What are the key properties of CID 59787779?
CID 59787779 has a molecular weight of 188.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59787779 is sourced from PubChem (CID 59787779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).