CID 134800933

C18H20N4O3S — CID 134800933

IUPAC—
SMILESO=C(c1ccccc1)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1
InChIInChI=1S/C18H20N4O3S/c23-17(14-6-2-1-3-7-14)22-11-5-9-18(13-22)12-20-26(24,25)15-8-4-10-19-16(15)21-18/h1-4,6-8,10H,5,9,11-13H2,(H2-,19,20,21,24,25)
InChIKeyLGWCVPQXUWHYAP-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.68
Rot. Bonds1

About CID 134800933

CID 134800933 (PubChem CID 134800933) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol.

Molecular Properties

Compound NameCID 134800933
PubChem CID134800933
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name—
SMILESO=C(c1ccccc1)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1
InChIInChI=1S/C18H20N4O3S/c23-17(14-6-2-1-3-7-14)22-11-5-9-18(13-22)12-20-26(24,25)15-8-4-10-19-16(15)21-18/h1-4,6-8,10H,5,9,11-13H2,(H2-,19,20,21,24,25)
InChIKeyLGWCVPQXUWHYAP-UHFFFAOYSA-N
XLogP1.68
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 134802632
CID 134803717
CID 134803717
CID 134803507
CID 134803507
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
CID 138702406
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
CID 134791990
CID 134791990
phenyl-(3-pyridin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134787749
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
CID 134793011
CID 134793011
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
CID 134788833
CID 134788833

Frequently Asked Questions

What is the IUPAC name of CID 134800933?
The IUPAC name of CID 134800933 (CID 134800933) is not available.
What is the SMILES notation for CID 134800933?
The canonical SMILES for CID 134800933 is O=C(c1ccccc1)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1.
What is the InChIKey of CID 134800933?
The InChIKey is LGWCVPQXUWHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-17(14-6-2-1-3-7-14)22-11-5-9-18(13-22)12-20-26(24,25)15-8-4-10-19-16(15)21-18/h1-4,6-8,10H,5,9,11-13H2,(H2-,19,20,21,24,25).
What are the key properties of CID 134800933?
CID 134800933 has a molecular weight of 372.45 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134800933 is sourced from PubChem (CID 134800933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).