CID 123424760

C5H10NOS- — CID 123424760

IUPAC—
SMILESC=[S-](=O)N1CCCC1
InChIInChI=1S/C5H10NOS/c1-8(7)6-4-2-3-5-6/h1-5H2/q-1
InChIKeyNOOMZSFVWOZEPM-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.39
Rot. Bonds1

About CID 123424760

CID 123424760 (PubChem CID 123424760) has the molecular formula C5H10NOS- and a molecular weight of 132.21 g/mol.

Molecular Properties

Compound NameCID 123424760
PubChem CID123424760
Molecular FormulaC5H10NOS-
Molecular Weight132.21 g/mol
Exact Mass132.05
IUPAC Name—
SMILESC=[S-](=O)N1CCCC1
InChIInChI=1S/C5H10NOS/c1-8(7)6-4-2-3-5-6/h1-5H2/q-1
InChIKeyNOOMZSFVWOZEPM-UHFFFAOYSA-N
XLogP0.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123424760?
The IUPAC name of CID 123424760 (CID 123424760) is not available.
What is the SMILES notation for CID 123424760?
The canonical SMILES for CID 123424760 is C=[S-](=O)N1CCCC1.
What is the InChIKey of CID 123424760?
The InChIKey is NOOMZSFVWOZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOS/c1-8(7)6-4-2-3-5-6/h1-5H2/q-1.
What are the key properties of CID 123424760?
CID 123424760 has a molecular weight of 132.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123424760 is sourced from PubChem (CID 123424760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).