2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide

C12H17N3OS — CID 80586168

IUPAC2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
SMILESNNc1ccccc1C(=O)NCC1CCCS1
InChIInChI=1S/C12H17N3OS/c13-15-11-6-2-1-5-10(11)12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9,15H,3-4,7-8,13H2,(H,14,16)
InChIKeyQUNAMFFYTLLGCJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.60
Rot. Bonds4

About 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide

2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide (PubChem CID 80586168) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
PubChem CID80586168
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
SMILESNNc1ccccc1C(=O)NCC1CCCS1
InChIInChI=1S/C12H17N3OS/c13-15-11-6-2-1-5-10(11)12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9,15H,3-4,7-8,13H2,(H,14,16)
InChIKeyQUNAMFFYTLLGCJ-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
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

2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
5-hydrazinyl-2-nitro-N-(thiolan-2-ylmethyl)benzamide
CID 80586206
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
CID 62241479
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
CID 106854161
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide (CID 80586168) is 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide is NNc1ccccc1C(=O)NCC1CCCS1.
What is the InChIKey of 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide?
The InChIKey is QUNAMFFYTLLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-15-11-6-2-1-5-10(11)12(16)14-8-9-4-3-7-17-9/h1-2,5-6,9,15H,3-4,7-8,13H2,(H,14,16).
What are the key properties of 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide?
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide has a molecular weight of 251.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide is sourced from PubChem (CID 80586168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).