2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

C14H21N3OS — CID 114124028

IUPAC2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(C)cc2NN)C1
InChIInChI=1S/C14H21N3OS/c1-9-3-6-12(13(7-9)17-15)14(18)16-10-4-5-11(8-10)19-2/h3,6-7,10-11,17H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyCRGDINJEROARPY-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.29
Rot. Bonds4

About 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 114124028) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID114124028
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(NC(=O)c2ccc(C)cc2NN)C1
InChIInChI=1S/C14H21N3OS/c1-9-3-6-12(13(7-9)17-15)14(18)16-10-4-5-11(8-10)19-2/h3,6-7,10-11,17H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyCRGDINJEROARPY-UHFFFAOYSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.29
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-hydrazinyl-4-methyl-N-(3-methylcyclopentyl)benzamide
CID 114541042
2-amino-5-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 114122249
3,6-dichloro-N-(3-methylsulfanylcyclopentyl)pyridazine-4-carboxamide
CID 114122854
2-amino-N-[(1S,3S)-3-methylsulfanylcyclopentyl]-5-(trifluoromethyl)benzamide
CID 99815703
N-(4-ethylcyclohexyl)-2-hydrazinyl-5-methylbenzamide
CID 62511302
3-hydroxy-N-(3-methylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103762366
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
3-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103708502
N-(3-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954846
2,3,6-trifluoro-N-[(1R,3S)-3-methylsulfanylcyclopentyl]benzamide
CID 99616260
2,3,6-trifluoro-N-(3-methylsulfanylcyclopentyl)benzamide
CID 86816211

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (CID 114124028) is 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(NC(=O)c2ccc(C)cc2NN)C1.
What is the InChIKey of 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is CRGDINJEROARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-3-6-12(13(7-9)17-15)14(18)16-10-4-5-11(8-10)19-2/h3,6-7,10-11,17H,4-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 279.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 114124028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).