CID 134803507

C15H23N5O3S — CID 134803507

IUPAC—
SMILESCN(C)CC(=O)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C15H23N5O3S/c1-19(2)9-13(21)20-8-4-6-15(11-20)10-17-14-12(5-3-7-16-14)24(22,23)18-15/h3,5,7H,4,6,8-11H2,1-2H3,(H2-,16,17,18,22,23)
InChIKeyVNXQVJSKPOBWJK-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.08
Rot. Bonds2

About CID 134803507

CID 134803507 (PubChem CID 134803507) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol.

Molecular Properties

Compound NameCID 134803507
PubChem CID134803507
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name—
SMILESCN(C)CC(=O)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1
InChIInChI=1S/C15H23N5O3S/c1-19(2)9-13(21)20-8-4-6-15(11-20)10-17-14-12(5-3-7-16-14)24(22,23)18-15/h3,5,7H,4,6,8-11H2,1-2H3,(H2-,16,17,18,22,23)
InChIKeyVNXQVJSKPOBWJK-UHFFFAOYSA-N
XLogP-0.08
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.08
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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Related Compounds

CID 134802632
CID 134802632
CID 134803717
CID 134803717
CID 134800933
CID 134800933
2-(dimethylamino)-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]ethanone
CID 92606069
1-[3-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]butan-1-one
CID 155558238
3-[3-hydroxy-1-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]piperidin-3-yl]propanamide
CID 132776989
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
2-(dimethylamino)-1-[3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 134076712
1-[(3R)-3-methyl-3-propylpiperidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97318615
2-(dimethylamino)-1-[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 134080137
3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013986
9-[2-(dimethylamino)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155855500

Frequently Asked Questions

What is the IUPAC name of CID 134803507?
The IUPAC name of CID 134803507 (CID 134803507) is not available.
What is the SMILES notation for CID 134803507?
The canonical SMILES for CID 134803507 is CN(C)CC(=O)N1CCCC2(CNc3ncccc3[S+](=O)([O-])N2)C1.
What is the InChIKey of CID 134803507?
The InChIKey is VNXQVJSKPOBWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-19(2)9-13(21)20-8-4-6-15(11-20)10-17-14-12(5-3-7-16-14)24(22,23)18-15/h3,5,7H,4,6,8-11H2,1-2H3,(H2-,16,17,18,22,23).
What are the key properties of CID 134803507?
CID 134803507 has a molecular weight of 353.45 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134803507 is sourced from PubChem (CID 134803507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).