CID 134802632

C17H19N5O3S — CID 134802632

IUPAC—
SMILESO=C(c1cccnc1)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C17H19N5O3S/c23-16(13-4-1-7-18-10-13)22-9-3-6-17(12-22)11-20-15-14(5-2-8-19-15)26(24,25)21-17/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2-,19,20,21,24,25)
InChIKeyKNSLGBMHSOLTJV-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.07
Rot. Bonds1

About CID 134802632

CID 134802632 (PubChem CID 134802632) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol.

Molecular Properties

Compound NameCID 134802632
PubChem CID134802632
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name—
SMILESO=C(c1cccnc1)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C17H19N5O3S/c23-16(13-4-1-7-18-10-13)22-9-3-6-17(12-22)11-20-15-14(5-2-8-19-15)26(24,25)21-17/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2-,19,20,21,24,25)
InChIKeyKNSLGBMHSOLTJV-UHFFFAOYSA-N
XLogP1.07
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 134802632 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134803717
CID 134803717
CID 134803507
CID 134803507
CID 134800933
CID 134800933
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 110808437

Frequently Asked Questions

What is the IUPAC name of CID 134802632?
The IUPAC name of CID 134802632 (CID 134802632) is not available.
What is the SMILES notation for CID 134802632?
The canonical SMILES for CID 134802632 is O=C(c1cccnc1)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1.
What is the InChIKey of CID 134802632?
The InChIKey is KNSLGBMHSOLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c23-16(13-4-1-7-18-10-13)22-9-3-6-17(12-22)11-20-15-14(5-2-8-19-15)26(24,25)21-17/h1-2,4-5,7-8,10H,3,6,9,11-12H2,(H2-,19,20,21,24,25).
What are the key properties of CID 134802632?
CID 134802632 has a molecular weight of 373.44 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134802632 is sourced from PubChem (CID 134802632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).