[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine

C13H21N3OS — CID 105245175

IUPAC[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CN3CCCC3CO2)cs1
InChIInChI=1S/C13H21N3OS/c1-9-5-10(8-18-9)13(15-14)12-6-16-4-2-3-11(16)7-17-12/h5,8,11-13,15H,2-4,6-7,14H2,1H3
InChIKeyVYJRUCJNEDUBMS-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.42
Rot. Bonds3

About [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 105245175) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
PubChem CID105245175
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cc(C(NN)C2CN3CCCC3CO2)cs1
InChIInChI=1S/C13H21N3OS/c1-9-5-10(8-18-9)13(15-14)12-6-16-4-2-3-11(16)7-17-12/h5,8,11-13,15H,2-4,6-7,14H2,1H3
InChIKeyVYJRUCJNEDUBMS-UHFFFAOYSA-N
XLogP1.42
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(phenyl)methyl]hydrazine
CID 105244973
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 79088499
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(1-benzofuran-2-yl)methyl]hydrazine
CID 105245205
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
[(5-methyloxolan-2-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313359
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105245184
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propylhydrazine
CID 105245091
[7-bicyclo[4.1.0]heptanyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313323
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105245060
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105245086

Frequently Asked Questions

What is the IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine (CID 105245175) is [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine is Cc1cc(C(NN)C2CN3CCCC3CO2)cs1.
What is the InChIKey of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is VYJRUCJNEDUBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-5-10(8-18-9)13(15-14)12-6-16-4-2-3-11(16)7-17-12/h5,8,11-13,15H,2-4,6-7,14H2,1H3.
What are the key properties of [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine?
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 267.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105245175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).