CID 134787257

C15H21N3O2S — CID 134787257

IUPAC—
SMILESO=[S+]([O-])(C1CC1)N1C2CCC1CN(Cc1cccnc1)C2
InChIInChI=1S/C15H21N3O2S/c19-21(20,15-5-6-15)18-13-3-4-14(18)11-17(10-13)9-12-2-1-7-16-8-12/h1-2,7-8,13-15H,3-6,9-11H2
InChIKeyJJAXBICDRAISCE-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.44
Rot. Bonds4

About CID 134787257

CID 134787257 (PubChem CID 134787257) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol.

Molecular Properties

Compound NameCID 134787257
PubChem CID134787257
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name—
SMILESO=[S+]([O-])(C1CC1)N1C2CCC1CN(Cc1cccnc1)C2
InChIInChI=1S/C15H21N3O2S/c19-21(20,15-5-6-15)18-13-3-4-14(18)11-17(10-13)9-12-2-1-7-16-8-12/h1-2,7-8,13-15H,3-6,9-11H2
InChIKeyJJAXBICDRAISCE-UHFFFAOYSA-N
XLogP1.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
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(1S,5R)-3-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ylsulfonyl-3,6-diazabicyclo[3.2.2]nonane
CID 72839131
(1-methyl-1,2,4-triazol-3-yl)-[3-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 131684289
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906
(3-fluoro-4-pyridinyl)-[(1R,5S)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 155548788
(8aR)-2-cyclohexyl-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537127
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
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Frequently Asked Questions

What is the IUPAC name of CID 134787257?
The IUPAC name of CID 134787257 (CID 134787257) is not available.
What is the SMILES notation for CID 134787257?
The canonical SMILES for CID 134787257 is O=[S+]([O-])(C1CC1)N1C2CCC1CN(Cc1cccnc1)C2.
What is the InChIKey of CID 134787257?
The InChIKey is JJAXBICDRAISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-21(20,15-5-6-15)18-13-3-4-14(18)11-17(10-13)9-12-2-1-7-16-8-12/h1-2,7-8,13-15H,3-6,9-11H2.
What are the key properties of CID 134787257?
CID 134787257 has a molecular weight of 307.42 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134787257 is sourced from PubChem (CID 134787257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).