(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone

C12H17N3OS — CID 63211977

IUPAC(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NN
InChIInChI=1S/C12H17N3OS/c1-9-8-10(2-3-11(9)14-13)12(16)15-4-6-17-7-5-15/h2-3,8,14H,4-7,13H2,1H3
InChIKeyHKZZRDJMFFYYBT-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.47
Rot. Bonds2

About (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone

(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone (PubChem CID 63211977) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
PubChem CID63211977
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NN
InChIInChI=1S/C12H17N3OS/c1-9-8-10(2-3-11(9)14-13)12(16)15-4-6-17-7-5-15/h2-3,8,14H,4-7,13H2,1H3
InChIKeyHKZZRDJMFFYYBT-UHFFFAOYSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-methyl-4-(prop-2-ynylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 71858060
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
(4,4-dimethylazepan-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 65286838
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
7-amino-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]heptanamide;hydrochloride
CID 119761404
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211568
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119183235
2-chloro-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 146085920

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone (CID 63211977) is (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone is Cc1cc(C(=O)N2CCSCC2)ccc1NN.
What is the InChIKey of (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is HKZZRDJMFFYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-9-8-10(2-3-11(9)14-13)12(16)15-4-6-17-7-5-15/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone?
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 251.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 63211977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).