CID 134789387

C15H17N3O4S — CID 134789387

IUPAC—
SMILESO=[S+]1([O-])NC2(CCN(Cc3ccoc3)C2)COc2ccncc21
InChIInChI=1S/C15H17N3O4S/c19-23(20)14-7-16-4-1-13(14)22-11-15(17-23)3-5-18(10-15)8-12-2-6-21-9-12/h1-2,4,6-7,9H,3,5,8,10-11H2,(H-,17,19,20)
InChIKeyVOFMSXBFDMCDEI-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.21
Rot. Bonds2

About CID 134789387

CID 134789387 (PubChem CID 134789387) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol.

Molecular Properties

Compound NameCID 134789387
PubChem CID134789387
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name—
SMILESO=[S+]1([O-])NC2(CCN(Cc3ccoc3)C2)COc2ccncc21
InChIInChI=1S/C15H17N3O4S/c19-23(20)14-7-16-4-1-13(14)22-11-15(17-23)3-5-18(10-15)8-12-2-6-21-9-12/h1-2,4,6-7,9H,3,5,8,10-11H2,(H-,17,19,20)
InChIKeyVOFMSXBFDMCDEI-UHFFFAOYSA-N
XLogP1.21
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(1,1-Dioxospiro[2,4-dihydropyrido[2,3-b][1,4,5]oxathiazepine-3,3'-pyrrolidine]-1'-yl)-pyridin-4-ylmethanone
CID 118740582
Sdccgsbi-0662865.P001
CID 134789760
CID 134788849
CID 134788849
CID 134789719
CID 134789719
CID 134789804
CID 134789804
CID 134790339
CID 134790339
CID 134790870
CID 134790870
N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 60219176
5-(aminomethyl)-N,1-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyrrole-3-sulfonamide
CID 65778249
5-(ethylaminomethyl)-N-(furan-3-ylmethyl)-N-methyl-1H-pyrrole-3-sulfonamide
CID 65778436
N-(furan-3-ylmethyl)-N,1-dimethyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 65779202
5-(aminomethyl)-1-cyclopropyl-N-(furan-3-ylmethyl)-N-methylpyrrole-3-sulfonamide
CID 65779585

Frequently Asked Questions

What is the IUPAC name of CID 134789387?
The IUPAC name of CID 134789387 (CID 134789387) is not available.
What is the SMILES notation for CID 134789387?
The canonical SMILES for CID 134789387 is O=[S+]1([O-])NC2(CCN(Cc3ccoc3)C2)COc2ccncc21.
What is the InChIKey of CID 134789387?
The InChIKey is VOFMSXBFDMCDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-23(20)14-7-16-4-1-13(14)22-11-15(17-23)3-5-18(10-15)8-12-2-6-21-9-12/h1-2,4,6-7,9H,3,5,8,10-11H2,(H-,17,19,20).
What are the key properties of CID 134789387?
CID 134789387 has a molecular weight of 335.38 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134789387 is sourced from PubChem (CID 134789387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).