CID 101344819

C8H16NS — CID 101344819

IUPAC—
SMILESCC(C)S/[C]=N/C(C)(C)C
InChIInChI=1S/C8H16NS/c1-7(2)10-6-9-8(3,4)5/h7H,1-5H3
InChIKeyIBKVOHWJEQLVNS-UHFFFAOYSA-N
MW158.29 g/mol
LogP2.83
Rot. Bonds2

About CID 101344819

CID 101344819 (PubChem CID 101344819) has the molecular formula C8H16NS and a molecular weight of 158.29 g/mol.

Molecular Properties

Compound NameCID 101344819
PubChem CID101344819
Molecular FormulaC8H16NS
Molecular Weight158.29 g/mol
Exact Mass158.10
IUPAC Name—
SMILESCC(C)S/[C]=N/C(C)(C)C
InChIInChI=1S/C8H16NS/c1-7(2)10-6-9-8(3,4)5/h7H,1-5H3
InChIKeyIBKVOHWJEQLVNS-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101344819?
The IUPAC name of CID 101344819 (CID 101344819) is not available.
What is the SMILES notation for CID 101344819?
The canonical SMILES for CID 101344819 is CC(C)S/[C]=N/C(C)(C)C.
What is the InChIKey of CID 101344819?
The InChIKey is IBKVOHWJEQLVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NS/c1-7(2)10-6-9-8(3,4)5/h7H,1-5H3.
What are the key properties of CID 101344819?
CID 101344819 has a molecular weight of 158.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101344819 is sourced from PubChem (CID 101344819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).