4-[1-(4-nitrophenyl)sulfanylethyl]morpholine

C12H16N2O3S — CID 19779513

IUPAC4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
SMILESCC(Sc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-10(13-6-8-17-9-7-13)18-12-4-2-11(3-5-12)14(15)16/h2-5,10H,6-9H2,1H3
InChIKeyCXYWOEVLSJJDKH-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.37
Rot. Bonds4

About 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine

4-[1-(4-nitrophenyl)sulfanylethyl]morpholine (PubChem CID 19779513) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
PubChem CID19779513
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
SMILESCC(Sc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-10(13-6-8-17-9-7-13)18-12-4-2-11(3-5-12)14(15)16/h2-5,10H,6-9H2,1H3
InChIKeyCXYWOEVLSJJDKH-UHFFFAOYSA-N
XLogP2.37
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
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'}

Analyze 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
4-[1-(4-nitrophenyl)sulfonylpropan-2-yl]morpholine
CID 2928740
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
1-(dichloromethylsulfanyl)-4-nitrobenzene
CID 21224746
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-[(S)-(4-nitrophenyl)sulfinyl]morpholine
CID 11859168
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
4-(4-nitrophenyl)selanylmorpholine
CID 23279168
2-morpholin-4-yl-2-(4-nitrophenyl)ethanesulfonyl fluoride
CID 162406640
2-(4-nitrophenyl)sulfanylpropanoyl chloride
CID 82041787
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 119517897

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine?
The IUPAC name of 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine (CID 19779513) is 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine is CC(Sc1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine?
The InChIKey is CXYWOEVLSJJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(13-6-8-17-9-7-13)18-12-4-2-11(3-5-12)14(15)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine?
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine has a molecular weight of 268.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrophenyl)sulfanylethyl]morpholine is sourced from PubChem (CID 19779513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).