CID 59866903

C10H20N3O2S — CID 59866903

IUPAC—
SMILESCN(C)CCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C10H20N3O2S/c1-13(2)6-3-5-12-10(15)8-16-7-4-9(11)14/h4H,3,5-8H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyOANGQLNAKMDTHW-UHFFFAOYSA-N
MW246.36 g/mol
LogP-0.52
Rot. Bonds9

About CID 59866903

CID 59866903 (PubChem CID 59866903) has the molecular formula C10H20N3O2S and a molecular weight of 246.36 g/mol.

Molecular Properties

Compound NameCID 59866903
PubChem CID59866903
Molecular FormulaC10H20N3O2S
Molecular Weight246.36 g/mol
Exact Mass246.13
IUPAC Name—
SMILESCN(C)CCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C10H20N3O2S/c1-13(2)6-3-5-12-10(15)8-16-7-4-9(11)14/h4H,3,5-8H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyOANGQLNAKMDTHW-UHFFFAOYSA-N
XLogP-0.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 59866903?
The IUPAC name of CID 59866903 (CID 59866903) is not available.
What is the SMILES notation for CID 59866903?
The canonical SMILES for CID 59866903 is CN(C)CCCNC(=O)CSC[CH]C(N)=O.
What is the InChIKey of CID 59866903?
The InChIKey is OANGQLNAKMDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3O2S/c1-13(2)6-3-5-12-10(15)8-16-7-4-9(11)14/h4H,3,5-8H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of CID 59866903?
CID 59866903 has a molecular weight of 246.36 g/mol, XLogP of -0.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866903 is sourced from PubChem (CID 59866903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).