2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide

C11H16N4O3S — CID 114234608

IUPAC2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O3S/c1-14(2)11(16)7-19-6-8-5-9(15(17)18)3-4-10(8)13-12/h3-5,13H,6-7,12H2,1-2H3
InChIKeyDZIBUZADUYZQJI-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.20
Rot. Bonds6

About 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide

2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide (PubChem CID 114234608) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
PubChem CID114234608
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCc1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C11H16N4O3S/c1-14(2)11(16)7-19-6-8-5-9(15(17)18)3-4-10(8)13-12/h3-5,13H,6-7,12H2,1-2H3
InChIKeyDZIBUZADUYZQJI-UHFFFAOYSA-N
XLogP1.20
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
CID 62252511
2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetamide
CID 114231396
methyl 2-[[2-(methylamino)-5-nitrophenyl]methylsulfanyl]acetate
CID 62188956
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[4-nitro-2-(pyrimidin-2-ylsulfanylmethyl)phenyl]hydrazine
CID 55050904
methyl 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]acetate
CID 43617901
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62245269
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
2-N-ethyl-2-N-[(2-hydrazinyl-5-nitrophenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide (CID 114234608) is 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSCc1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide?
The InChIKey is DZIBUZADUYZQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-14(2)11(16)7-19-6-8-5-9(15(17)18)3-4-10(8)13-12/h3-5,13H,6-7,12H2,1-2H3.
What are the key properties of 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide?
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide has a molecular weight of 284.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114234608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).