(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

C12H17N3O3S2 — CID 66383483

IUPAC(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H17N3O3S2/c1-20(17,18)11-8-19-7-6-15(11)12(16)9-2-4-10(14-13)5-3-9/h2-5,11,14H,6-8,13H2,1H3
InChIKeyJMBWNFSHZYWCFT-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.53
Rot. Bonds3

About (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone

(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66383483) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66383483
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H17N3O3S2/c1-20(17,18)11-8-19-7-6-15(11)12(16)9-2-4-10(14-13)5-3-9/h2-5,11,14H,6-8,13H2,1H3
InChIKeyJMBWNFSHZYWCFT-UHFFFAOYSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383330
(2,3-difluorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66382642
(6-ethylsulfanyl-3-pyridinyl)-[(3S)-3-methylsulfonylthiomorpholin-4-yl]methanone
CID 125131191
3-(3-methylsulfonylthiomorpholin-4-yl)-3-oxopropanethioamide
CID 66384218
N-methyl-3-methylsulfonylthiomorpholine-4-carboxamide
CID 116656564
5-(3-methylsulfonylthiomorpholine-4-carbonyl)furan-3-carboxylic acid
CID 104607707
(6-chloropyridazin-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66383223
2-[3-(3-methylsulfonylthiomorpholine-4-carbonyl)phenoxy]acetic acid
CID 119186354
(4-amino-1-methylpyrazol-3-yl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 66370150
(4-fluoro-2-hydroxyphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103888895
(2-bromo-4-chlorophenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 103765707
(3-bromo-2-pyridinyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone
CID 107519120

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 66383483) is (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is CS(=O)(=O)C1CSCCN1C(=O)c1ccc(NN)cc1.
What is the InChIKey of (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is JMBWNFSHZYWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-20(17,18)11-8-19-7-6-15(11)12(16)9-2-4-10(14-13)5-3-9/h2-5,11,14H,6-8,13H2,1H3.
What are the key properties of (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone?
(4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinylphenyl)-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66383483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).