CID 58699785

C11H20NSY- — CID 58699785

IUPAC—
SMILESC[C-]1C(C)N(C)CC12CCCCS2.[Y]
InChIInChI=1S/C11H20NS.Y/c1-9-10(2)12(3)8-11(9)6-4-5-7-13-11;/h10H,4-8H2,1-3H3;/q-1;
InChIKeyHZUVLTVTQFLRGT-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.57
Rot. Bonds

About CID 58699785

CID 58699785 (PubChem CID 58699785) has the molecular formula C11H20NSY- and a molecular weight of 287.26 g/mol.

Molecular Properties

Compound NameCID 58699785
PubChem CID58699785
Molecular FormulaC11H20NSY-
Molecular Weight287.26 g/mol
Exact Mass287.04
IUPAC Name—
SMILESC[C-]1C(C)N(C)CC12CCCCS2.[Y]
InChIInChI=1S/C11H20NS.Y/c1-9-10(2)12(3)8-11(9)6-4-5-7-13-11;/h10H,4-8H2,1-3H3;/q-1;
InChIKeyHZUVLTVTQFLRGT-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58699785?
The IUPAC name of CID 58699785 (CID 58699785) is not available.
What is the SMILES notation for CID 58699785?
The canonical SMILES for CID 58699785 is C[C-]1C(C)N(C)CC12CCCCS2.[Y].
What is the InChIKey of CID 58699785?
The InChIKey is HZUVLTVTQFLRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NS.Y/c1-9-10(2)12(3)8-11(9)6-4-5-7-13-11;/h10H,4-8H2,1-3H3;/q-1;.
What are the key properties of CID 58699785?
CID 58699785 has a molecular weight of 287.26 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699785 is sourced from PubChem (CID 58699785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).