N-(2-nitrophenyl)sulfanylpropanamide

C9H10N2O3S — CID 134920516

IUPACN-(2-nitrophenyl)sulfanylpropanamide
SMILESCCC(=O)NSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3S/c1-2-9(12)10-15-8-6-4-3-5-7(8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQNCQVQOMYFJGHT-UHFFFAOYSA-N
MW226.26 g/mol
LogP2.13
Rot. Bonds4

About N-(2-nitrophenyl)sulfanylpropanamide

N-(2-nitrophenyl)sulfanylpropanamide (PubChem CID 134920516) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(2-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)sulfanylpropanamide
PubChem CID134920516
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-(2-nitrophenyl)sulfanylpropanamide
SMILESCCC(=O)NSc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3S/c1-2-9(12)10-15-8-6-4-3-5-7(8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQNCQVQOMYFJGHT-UHFFFAOYSA-N
XLogP2.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-nitrophenyl)sulfanylcarbamate
CID 145201924
(2R)-4-methylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]butanoic acid
CID 129360518
(2R)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
CID 92860184
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(2-nitrophenyl)sulfanylacetate
CID 7992231
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
(2R)-4-methoxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid
CID 134990739
(2R)-3-(4-hydroxyphenyl)-2-[(2-nitrophenyl)sulfanylamino]propanoate
CID 6945385
2-[(2-nitrophenyl)sulfanylamino]pent-4-ynoic acid
CID 117059558
1-(2-nitrophenyl)sulfanylpropan-2-one
CID 822986
(2S)-5-methoxy-2-[(2-nitrophenyl)sulfanylamino]-5-oxopentanoic acid
CID 71404794
2-(2-nitrophenyl)sulfanylbutanoic acid
CID 43808907
(2R)-2-methyl-N-(2-nitrophenyl)sulfanylpyrrolidine-1-carboxamide
CID 90927012

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-nitrophenyl)sulfanylpropanamide (CID 134920516) is N-(2-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-nitrophenyl)sulfanylpropanamide is CCC(=O)NSc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)sulfanylpropanamide?
The InChIKey is QNCQVQOMYFJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-9(12)10-15-8-6-4-3-5-7(8)11(13)14/h3-6H,2H2,1H3,(H,10,12).
What are the key properties of N-(2-nitrophenyl)sulfanylpropanamide?
N-(2-nitrophenyl)sulfanylpropanamide has a molecular weight of 226.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 134920516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).