2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide

C15H23N3OS — CID 107458803

IUPAC2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
SMILESCC1(C)CCN(C(C(=O)NN)c2ccccc2)CCS1
InChIInChI=1S/C15H23N3OS/c1-15(2)8-9-18(10-11-20-15)13(14(19)17-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19)
InChIKeyWOOWPWCILLLTFJ-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.94
Rot. Bonds3

About 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide

2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide (PubChem CID 107458803) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
PubChem CID107458803
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
SMILESCC1(C)CCN(C(C(=O)NN)c2ccccc2)CCS1
InChIInChI=1S/C15H23N3OS/c1-15(2)8-9-18(10-11-20-15)13(14(19)17-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19)
InChIKeyWOOWPWCILLLTFJ-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
CID 63572788
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
CID 63584652
2-phenyl-2-(2,2,6-trimethylmorpholin-4-yl)acetohydrazide
CID 63585687
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-oxo-2-phenylpropanethioamide
CID 107455082
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171
2-(3,3-dimethylmorpholin-4-yl)-2-phenylacetohydrazide
CID 55213078

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide?
The IUPAC name of 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide (CID 107458803) is 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide is CC1(C)CCN(C(C(=O)NN)c2ccccc2)CCS1.
What is the InChIKey of 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide?
The InChIKey is WOOWPWCILLLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2)8-9-18(10-11-20-15)13(14(19)17-16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide?
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide has a molecular weight of 293.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 107458803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).