CID 43558515

C12H21N2O3S — CID 43558515

IUPAC—
SMILESO=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N2O3S/c15-12(4-3-10-2-1-6-13-8-10)14-11-5-7-18(16,17)9-11/h10-11H,1-9H2,(H,14,15)
InChIKeyXWGOAWNKXYKWKS-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.08
Rot. Bonds4

About CID 43558515

CID 43558515 (PubChem CID 43558515) has the molecular formula C12H21N2O3S and a molecular weight of 273.38 g/mol.

Molecular Properties

Compound NameCID 43558515
PubChem CID43558515
Molecular FormulaC12H21N2O3S
Molecular Weight273.38 g/mol
Exact Mass273.13
IUPAC Name—
SMILESO=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H21N2O3S/c15-12(4-3-10-2-1-6-13-8-10)14-11-5-7-18(16,17)9-11/h10-11H,1-9H2,(H,14,15)
InChIKeyXWGOAWNKXYKWKS-UHFFFAOYSA-N
XLogP0.08
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 43558515?
The IUPAC name of CID 43558515 (CID 43558515) is not available.
What is the SMILES notation for CID 43558515?
The canonical SMILES for CID 43558515 is O=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)C1.
What is the InChIKey of CID 43558515?
The InChIKey is XWGOAWNKXYKWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O3S/c15-12(4-3-10-2-1-6-13-8-10)14-11-5-7-18(16,17)9-11/h10-11H,1-9H2,(H,14,15).
What are the key properties of CID 43558515?
CID 43558515 has a molecular weight of 273.38 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558515 is sourced from PubChem (CID 43558515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).