CID 143249477

C16H26N4O3SSi- — CID 143249477

IUPAC—
SMILESC[Si-](C)(C)C#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)NO
InChIInChI=1S/C16H26N4O3SSi/c1-25(2,3)13-7-15(18-21)14-24(22,23)20-11-9-19(10-12-20)16-6-4-5-8-17-16/h4-6,8,15,18,21H,9-12,14H2,1-3H3/q-1
InChIKeyOLAXTLOGACVRHF-UHFFFAOYSA-N
MW382.56 g/mol
LogP0.76
Rot. Bonds5

About CID 143249477

CID 143249477 (PubChem CID 143249477) has the molecular formula C16H26N4O3SSi- and a molecular weight of 382.56 g/mol.

Molecular Properties

Compound NameCID 143249477
PubChem CID143249477
Molecular FormulaC16H26N4O3SSi-
Molecular Weight382.56 g/mol
Exact Mass382.15
IUPAC Name—
SMILESC[Si-](C)(C)C#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)NO
InChIInChI=1S/C16H26N4O3SSi/c1-25(2,3)13-7-15(18-21)14-24(22,23)20-11-9-19(10-12-20)16-6-4-5-8-17-16/h4-6,8,15,18,21H,9-12,14H2,1-3H3/q-1
InChIKeyOLAXTLOGACVRHF-UHFFFAOYSA-N
XLogP0.76
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine
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N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylhept-3-yn-2-yl]formamide
CID 11588997
N-hydroxy-N-[1-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-4-(trimethyl-λ4-sulfanyl)but-3-yn-2-yl]formamide
CID 143249464
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1-trimethylsilylbutan-1-ol
CID 90723023
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
1-methylsulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 47147001
(2R)-N-(1-cyanocyclopropyl)-2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropanamide
CID 162657158

Frequently Asked Questions

What is the IUPAC name of CID 143249477?
The IUPAC name of CID 143249477 (CID 143249477) is not available.
What is the SMILES notation for CID 143249477?
The canonical SMILES for CID 143249477 is C[Si-](C)(C)C#CC(CS(=O)(=O)N1CCN(c2ccccn2)CC1)NO.
What is the InChIKey of CID 143249477?
The InChIKey is OLAXTLOGACVRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3SSi/c1-25(2,3)13-7-15(18-21)14-24(22,23)20-11-9-19(10-12-20)16-6-4-5-8-17-16/h4-6,8,15,18,21H,9-12,14H2,1-3H3/q-1.
What are the key properties of CID 143249477?
CID 143249477 has a molecular weight of 382.56 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143249477 is sourced from PubChem (CID 143249477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).