CID 134792088

C17H21N3O2S2 — CID 134792088

IUPAC—
SMILESO=[S+]1([O-])NC2(CCCN(Cc3ccsc3)C2)CNc2ccccc21
InChIInChI=1S/C17H21N3O2S2/c21-24(22)16-5-2-1-4-15(16)18-12-17(19-24)7-3-8-20(13-17)10-14-6-9-23-11-14/h1-2,4-6,9,11,18H,3,7-8,10,12-13H2,(H-,19,21,22)
InChIKeyZSWLALSSRBZXLN-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.70
Rot. Bonds2

About CID 134792088

CID 134792088 (PubChem CID 134792088) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol.

Molecular Properties

Compound NameCID 134792088
PubChem CID134792088
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name—
SMILESO=[S+]1([O-])NC2(CCCN(Cc3ccsc3)C2)CNc2ccccc21
InChIInChI=1S/C17H21N3O2S2/c21-24(22)16-5-2-1-4-15(16)18-12-17(19-24)7-3-8-20(13-17)10-14-6-9-23-11-14/h1-2,4-6,9,11,18H,3,7-8,10,12-13H2,(H-,19,21,22)
InChIKeyZSWLALSSRBZXLN-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.70
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

CID 134793474
CID 134793474
CID 134794165
CID 134794165
CID 134793623
CID 134793623
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97370835
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
CID 134794919
CID 134794919
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
CID 134789278
CID 134789278
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
1'-(thiophen-3-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one;2,2,2-trifluoroacetic acid
CID 155841078
CID 134793011
CID 134793011
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713

Frequently Asked Questions

What is the IUPAC name of CID 134792088?
The IUPAC name of CID 134792088 (CID 134792088) is not available.
What is the SMILES notation for CID 134792088?
The canonical SMILES for CID 134792088 is O=[S+]1([O-])NC2(CCCN(Cc3ccsc3)C2)CNc2ccccc21.
What is the InChIKey of CID 134792088?
The InChIKey is ZSWLALSSRBZXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c21-24(22)16-5-2-1-4-15(16)18-12-17(19-24)7-3-8-20(13-17)10-14-6-9-23-11-14/h1-2,4-6,9,11,18H,3,7-8,10,12-13H2,(H-,19,21,22).
What are the key properties of CID 134792088?
CID 134792088 has a molecular weight of 363.51 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792088 is sourced from PubChem (CID 134792088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).