CID 59866919

C12H24N3O3S — CID 59866919

IUPAC—
SMILESCN(C)CCOCCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C12H24N3O3S/c1-15(2)6-8-18-7-3-5-14-12(17)10-19-9-4-11(13)16/h4H,3,5-10H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyYNSPLQINUALUQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP-0.51
Rot. Bonds12

About CID 59866919

CID 59866919 (PubChem CID 59866919) has the molecular formula C12H24N3O3S and a molecular weight of 290.41 g/mol.

Molecular Properties

Compound NameCID 59866919
PubChem CID59866919
Molecular FormulaC12H24N3O3S
Molecular Weight290.41 g/mol
Exact Mass290.15
IUPAC Name—
SMILESCN(C)CCOCCCNC(=O)CSC[CH]C(N)=O
InChIInChI=1S/C12H24N3O3S/c1-15(2)6-8-18-7-3-5-14-12(17)10-19-9-4-11(13)16/h4H,3,5-10H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyYNSPLQINUALUQQ-UHFFFAOYSA-N
XLogP-0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 59866919?
The IUPAC name of CID 59866919 (CID 59866919) is not available.
What is the SMILES notation for CID 59866919?
The canonical SMILES for CID 59866919 is CN(C)CCOCCCNC(=O)CSC[CH]C(N)=O.
What is the InChIKey of CID 59866919?
The InChIKey is YNSPLQINUALUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3O3S/c1-15(2)6-8-18-7-3-5-14-12(17)10-19-9-4-11(13)16/h4H,3,5-10H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of CID 59866919?
CID 59866919 has a molecular weight of 290.41 g/mol, XLogP of -0.51, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866919 is sourced from PubChem (CID 59866919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).