N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide

C11H14N2O4S — CID 83031881

IUPACN-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESC[C@@H](O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-12-11(15)7-18-10-4-2-9(3-5-10)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeySGTHZZFOAZOESF-MRVPVSSYSA-N
MW270.31 g/mol
LogP1.18
Rot. Bonds6

About N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide

N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 83031881) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID83031881
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
SMILESC[C@@H](O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4S/c1-8(14)6-12-11(15)7-18-10-4-2-9(3-5-10)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m1/s1
InChIKeySGTHZZFOAZOESF-MRVPVSSYSA-N
XLogP1.18
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.18
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-hydroxy-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide
CID 106165597
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 63295381
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[2-(methylamino)ethyl]-2-(4-nitrophenyl)sulfanylacetamide;hydrochloride
CID 119502828
(2S,3R)-3-hydroxy-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]butanoic acid
CID 104964356
2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 8892304
N-[2-(ethylamino)ethyl]-2-(4-nitrophenyl)sulfanylacetamide;hydrochloride
CID 119507831
2-(4-nitrophenyl)sulfanylacetate
CID 6949291
N-(2,5-dimethylpyrrol-1-yl)-2-(4-nitrophenyl)sulfanylacetamide
CID 43822413
propan-2-yl 2-(4-nitrophenyl)sulfanylacetate
CID 15013409

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide (CID 83031881) is N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide is C[C@@H](O)CNC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is SGTHZZFOAZOESF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8(14)6-12-11(15)7-18-10-4-2-9(3-5-10)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,12,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide?
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 270.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 83031881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).