CID 59866887

C8H17N2OS — CID 59866887

IUPAC—
SMILESCNC(=O)[CH]CSCCN(C)C
InChIInChI=1S/C8H17N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4H,5-7H2,1-3H3,(H,9,11)
InChIKeyUEZOXJXPMPNIPQ-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.23
Rot. Bonds6

About CID 59866887

CID 59866887 (PubChem CID 59866887) has the molecular formula C8H17N2OS and a molecular weight of 189.30 g/mol.

Molecular Properties

Compound NameCID 59866887
PubChem CID59866887
Molecular FormulaC8H17N2OS
Molecular Weight189.30 g/mol
Exact Mass189.11
IUPAC Name—
SMILESCNC(=O)[CH]CSCCN(C)C
InChIInChI=1S/C8H17N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4H,5-7H2,1-3H3,(H,9,11)
InChIKeyUEZOXJXPMPNIPQ-UHFFFAOYSA-N
XLogP0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 59866887?
The IUPAC name of CID 59866887 (CID 59866887) is not available.
What is the SMILES notation for CID 59866887?
The canonical SMILES for CID 59866887 is CNC(=O)[CH]CSCCN(C)C.
What is the InChIKey of CID 59866887?
The InChIKey is UEZOXJXPMPNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2OS/c1-9-8(11)4-6-12-7-5-10(2)3/h4H,5-7H2,1-3H3,(H,9,11).
What are the key properties of CID 59866887?
CID 59866887 has a molecular weight of 189.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866887 is sourced from PubChem (CID 59866887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).