2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide

C11H15N3O3S — CID 66219199

IUPAC2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
SMILESCC(N)CSCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3S/c1-8(12)6-18-7-11(15)13-9-4-2-3-5-10(9)14(16)17/h2-5,8H,6-7,12H2,1H3,(H,13,15)
InChIKeyZETPRWJIOKPQBI-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.61
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide

2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide (PubChem CID 66219199) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
PubChem CID66219199
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide
SMILESCC(N)CSCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3S/c1-8(12)6-18-7-11(15)13-9-4-2-3-5-10(9)14(16)17/h2-5,8H,6-7,12H2,1H3,(H,13,15)
InChIKeyZETPRWJIOKPQBI-UHFFFAOYSA-N
XLogP1.61
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
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

2-(3-amino-2-methylpropyl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 66226752
3-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43238017
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 3138497
1-[(2-nitrophenyl)methylsulfanyl]propan-2-amine
CID 66217252
2-[2-(2-chloro-3-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 114270039
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9394683
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 2879195
[2-(2-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228228
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide (CID 66219199) is 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide is CC(N)CSCC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide?
The InChIKey is ZETPRWJIOKPQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8(12)6-18-7-11(15)13-9-4-2-3-5-10(9)14(16)17/h2-5,8H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide?
2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide has a molecular weight of 269.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 66219199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).