CID 43615349

C13H23N2O3S — CID 43615349

IUPAC—
SMILESO=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H23N2O3S/c16-13(4-3-11-2-1-7-14-10-11)15-12-5-8-19(17,18)9-6-12/h11-12H,1-10H2,(H,15,16)
InChIKeyUQQWDCWQGOVYRQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.47
Rot. Bonds4

About CID 43615349

CID 43615349 (PubChem CID 43615349) has the molecular formula C13H23N2O3S and a molecular weight of 287.40 g/mol.

Molecular Properties

Compound NameCID 43615349
PubChem CID43615349
Molecular FormulaC13H23N2O3S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC Name—
SMILESO=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H23N2O3S/c16-13(4-3-11-2-1-7-14-10-11)15-12-5-8-19(17,18)9-6-12/h11-12H,1-10H2,(H,15,16)
InChIKeyUQQWDCWQGOVYRQ-UHFFFAOYSA-N
XLogP0.47
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 43615349?
The IUPAC name of CID 43615349 (CID 43615349) is not available.
What is the SMILES notation for CID 43615349?
The canonical SMILES for CID 43615349 is O=C(CCC1CCC[N]C1)NC1CCS(=O)(=O)CC1.
What is the InChIKey of CID 43615349?
The InChIKey is UQQWDCWQGOVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O3S/c16-13(4-3-11-2-1-7-14-10-11)15-12-5-8-19(17,18)9-6-12/h11-12H,1-10H2,(H,15,16).
What are the key properties of CID 43615349?
CID 43615349 has a molecular weight of 287.40 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43615349 is sourced from PubChem (CID 43615349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).