CID 58611714

C11H19N2O2S — CID 58611714

IUPAC—
SMILESCCSCC(C[CH]C(N)=O)N1CCCC1=O
InChIInChI=1S/C11H19N2O2S/c1-2-16-8-9(5-6-10(12)14)13-7-3-4-11(13)15/h6,9H,2-5,7-8H2,1H3,(H2,12,14)
InChIKeyLCSZBSKDQGKMMM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.81
Rot. Bonds7

About CID 58611714

CID 58611714 (PubChem CID 58611714) has the molecular formula C11H19N2O2S and a molecular weight of 243.35 g/mol.

Molecular Properties

Compound NameCID 58611714
PubChem CID58611714
Molecular FormulaC11H19N2O2S
Molecular Weight243.35 g/mol
Exact Mass243.12
IUPAC Name—
SMILESCCSCC(C[CH]C(N)=O)N1CCCC1=O
InChIInChI=1S/C11H19N2O2S/c1-2-16-8-9(5-6-10(12)14)13-7-3-4-11(13)15/h6,9H,2-5,7-8H2,1H3,(H2,12,14)
InChIKeyLCSZBSKDQGKMMM-UHFFFAOYSA-N
XLogP0.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58611714?
The IUPAC name of CID 58611714 (CID 58611714) is not available.
What is the SMILES notation for CID 58611714?
The canonical SMILES for CID 58611714 is CCSCC(C[CH]C(N)=O)N1CCCC1=O.
What is the InChIKey of CID 58611714?
The InChIKey is LCSZBSKDQGKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O2S/c1-2-16-8-9(5-6-10(12)14)13-7-3-4-11(13)15/h6,9H,2-5,7-8H2,1H3,(H2,12,14).
What are the key properties of CID 58611714?
CID 58611714 has a molecular weight of 243.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58611714 is sourced from PubChem (CID 58611714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).