CID 59986614

C10H18N2S — CID 59986614

IUPAC—
SMILESCCCC1(SCCC=CC[N])CN1
InChIInChI=1S/C10H18N2S/c1-2-6-10(9-12-10)13-8-5-3-4-7-11/h3-4,12H,2,5-9H2,1H3
InChIKeyGUNUPFXZEVKELJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.83
Rot. Bonds7

About CID 59986614

CID 59986614 (PubChem CID 59986614) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol.

Molecular Properties

Compound NameCID 59986614
PubChem CID59986614
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name—
SMILESCCCC1(SCCC=CC[N])CN1
InChIInChI=1S/C10H18N2S/c1-2-6-10(9-12-10)13-8-5-3-4-7-11/h3-4,12H,2,5-9H2,1H3
InChIKeyGUNUPFXZEVKELJ-UHFFFAOYSA-N
XLogP1.83
TPSA44.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59986614?
The IUPAC name of CID 59986614 (CID 59986614) is not available.
What is the SMILES notation for CID 59986614?
The canonical SMILES for CID 59986614 is CCCC1(SCCC=CC[N])CN1.
What is the InChIKey of CID 59986614?
The InChIKey is GUNUPFXZEVKELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-6-10(9-12-10)13-8-5-3-4-7-11/h3-4,12H,2,5-9H2,1H3.
What are the key properties of CID 59986614?
CID 59986614 has a molecular weight of 198.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59986614 is sourced from PubChem (CID 59986614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).