4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide

C17H27N3O5S — CID 91153349

IUPAC4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
SMILESCC(C)CCC(=O)NN(CC(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H27N3O5S/c1-13(2)9-10-17(21)18-19(11-14(3)4)26(24,25)12-15-7-5-6-8-16(15)20(22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyJKUQUKWUAIYQNO-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.85
Rot. Bonds10

About 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide

4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide (PubChem CID 91153349) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide.

Molecular Properties

Compound Name4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
PubChem CID91153349
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide
SMILESCC(C)CCC(=O)NN(CC(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H27N3O5S/c1-13(2)9-10-17(21)18-19(11-14(3)4)26(24,25)12-15-7-5-6-8-16(15)20(22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)
InChIKeyJKUQUKWUAIYQNO-UHFFFAOYSA-N
XLogP2.85
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
N-(2-methylpropoxy)-1-(2-nitrophenyl)methanesulfonamide
CID 82715134
2-methyl-2-[methyl-[(2-nitrophenyl)methylsulfonyl]amino]propanoic acid
CID 62818179
N-(cyanomethyl)-1-(2-nitrophenyl)-N-propylmethanesulfonamide
CID 62021060
N-(2-cyanoethyl)-1-(2-nitrophenyl)-N-propan-2-ylmethanesulfonamide
CID 62020510
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
(2S)-2-[(2-nitrophenyl)methylsulfonylamino]pentanoic acid
CID 104934781
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 104624310
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
2-methyl-2-[(2-nitrophenyl)methylsulfonylamino]propanoic acid
CID 62022787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide?
The IUPAC name of 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide (CID 91153349) is 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide.
What is the SMILES notation for 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide?
The canonical SMILES for 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide is CC(C)CCC(=O)NN(CC(C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide?
The InChIKey is JKUQUKWUAIYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-13(2)9-10-17(21)18-19(11-14(3)4)26(24,25)12-15-7-5-6-8-16(15)20(22)23/h5-8,13-14H,9-12H2,1-4H3,(H,18,21).
What are the key properties of 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide?
4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide has a molecular weight of 385.49 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-methylpropyl)-N'-[(2-nitrophenyl)methylsulfonyl]pentanehydrazide is sourced from PubChem (CID 91153349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).