CID 156650322

C16H19N2O3S2 — CID 156650322

IUPAC—
SMILESCS(=O)(=O)c1ccc(C2=NC(SC[C@@H]3CCCO3)=CN[CH]2)cc1
InChIInChI=1S/C16H19N2O3S2/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13,17H,2-3,8,11H2,1H3/t13-/m0/s1
InChIKeyWGSJWKPCJMIFGM-ZDUSSCGKSA-N
MW351.47 g/mol
LogP2.36
Rot. Bonds5

About CID 156650322

CID 156650322 (PubChem CID 156650322) has the molecular formula C16H19N2O3S2 and a molecular weight of 351.47 g/mol.

Molecular Properties

Compound NameCID 156650322
PubChem CID156650322
Molecular FormulaC16H19N2O3S2
Molecular Weight351.47 g/mol
Exact Mass351.08
IUPAC Name—
SMILESCS(=O)(=O)c1ccc(C2=NC(SC[C@@H]3CCCO3)=CN[CH]2)cc1
InChIInChI=1S/C16H19N2O3S2/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13,17H,2-3,8,11H2,1H3/t13-/m0/s1
InChIKeyWGSJWKPCJMIFGM-ZDUSSCGKSA-N
XLogP2.36
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 156650322?
The IUPAC name of CID 156650322 (CID 156650322) is not available.
What is the SMILES notation for CID 156650322?
The canonical SMILES for CID 156650322 is CS(=O)(=O)c1ccc(C2=NC(SC[C@@H]3CCCO3)=CN[CH]2)cc1.
What is the InChIKey of CID 156650322?
The InChIKey is WGSJWKPCJMIFGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N2O3S2/c1-23(19,20)14-6-4-12(5-7-14)15-9-17-10-16(18-15)22-11-13-3-2-8-21-13/h4-7,9-10,13,17H,2-3,8,11H2,1H3/t13-/m0/s1.
What are the key properties of CID 156650322?
CID 156650322 has a molecular weight of 351.47 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156650322 is sourced from PubChem (CID 156650322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).