CID 134795376

C17H23N5O2S — CID 134795376

IUPAC—
SMILESCn1nccc1CN1CCCC2(CNc3ccccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C17H23N5O2S/c1-21-14(7-9-19-21)11-22-10-4-8-17(13-22)12-18-15-5-2-3-6-16(15)25(23,24)20-17/h2-3,5-7,9,18H,4,8,10-13H2,1H3,(H-,20,23,24)
InChIKeyRHNWFVIHDGVGCF-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.37
Rot. Bonds2

About CID 134795376

CID 134795376 (PubChem CID 134795376) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol.

Molecular Properties

Compound NameCID 134795376
PubChem CID134795376
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name—
SMILESCn1nccc1CN1CCCC2(CNc3ccccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C17H23N5O2S/c1-21-14(7-9-19-21)11-22-10-4-8-17(13-22)12-18-15-5-2-3-6-16(15)25(23,24)20-17/h2-3,5-7,9,18H,4,8,10-13H2,1H3,(H-,20,23,24)
InChIKeyRHNWFVIHDGVGCF-UHFFFAOYSA-N
XLogP1.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 134795376?
The IUPAC name of CID 134795376 (CID 134795376) is not available.
What is the SMILES notation for CID 134795376?
The canonical SMILES for CID 134795376 is Cn1nccc1CN1CCCC2(CNc3ccccc3[S+](=O)([O-])N2)C1.
What is the InChIKey of CID 134795376?
The InChIKey is RHNWFVIHDGVGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-21-14(7-9-19-21)11-22-10-4-8-17(13-22)12-18-15-5-2-3-6-16(15)25(23,24)20-17/h2-3,5-7,9,18H,4,8,10-13H2,1H3,(H-,20,23,24).
What are the key properties of CID 134795376?
CID 134795376 has a molecular weight of 361.47 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134795376 is sourced from PubChem (CID 134795376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).