4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide

C13H19N3OS — CID 63212671

IUPAC4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
SMILESCc1cc(C(=O)N(C)C2CCSC2)ccc1NN
InChIInChI=1S/C13H19N3OS/c1-9-7-10(3-4-12(9)15-14)13(17)16(2)11-5-6-18-8-11/h3-4,7,11,15H,5-6,8,14H2,1-2H3
InChIKeyHQLAJUZIOCNCDQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.86
Rot. Bonds3

About 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide

4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide (PubChem CID 63212671) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
PubChem CID63212671
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide
SMILESCc1cc(C(=O)N(C)C2CCSC2)ccc1NN
InChIInChI=1S/C13H19N3OS/c1-9-7-10(3-4-12(9)15-14)13(17)16(2)11-5-6-18-8-11/h3-4,7,11,15H,5-6,8,14H2,1-2H3
InChIKeyHQLAJUZIOCNCDQ-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-4-(propylamino)-N-(thiolan-3-yl)benzamide
CID 63210524
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
4-hydrazinyl-N,N,3-trimethylbenzamide
CID 63211691
4-amino-3-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 62679843
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
CID 43582046
N-methyl-3-(methylamino)-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682849
4-(ethylamino)-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide
CID 62168467
3-iodo-N-methyl-N-(thiolan-3-yl)benzamide
CID 55137571
3-amino-N-methyl-4-nitro-N-(thiolan-3-yl)benzamide
CID 62682848

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide (CID 63212671) is 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide is Cc1cc(C(=O)N(C)C2CCSC2)ccc1NN.
What is the InChIKey of 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide?
The InChIKey is HQLAJUZIOCNCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-7-10(3-4-12(9)15-14)13(17)16(2)11-5-6-18-8-11/h3-4,7,11,15H,5-6,8,14H2,1-2H3.
What are the key properties of 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide?
4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide has a molecular weight of 265.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N,3-dimethyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 63212671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).