CID 134809937

C19H24N4O3S — CID 134809937

IUPAC—
SMILESCC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26)
InChIKeyLZQFAVINYGPXAQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.61
Rot. Bonds6

About CID 134809937

CID 134809937 (PubChem CID 134809937) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol.

Molecular Properties

Compound NameCID 134809937
PubChem CID134809937
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name—
SMILESCC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26)
InChIKeyLZQFAVINYGPXAQ-UHFFFAOYSA-N
XLogP2.61
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134809937?
The IUPAC name of CID 134809937 (CID 134809937) is not available.
What is the SMILES notation for CID 134809937?
The canonical SMILES for CID 134809937 is CC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2.
What is the InChIKey of CID 134809937?
The InChIKey is LZQFAVINYGPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26).
What are the key properties of CID 134809937?
CID 134809937 has a molecular weight of 388.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134809937 is sourced from PubChem (CID 134809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).