ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate

C9H19N3OS — CID 85132381

IUPACethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate
SMILESCCCCC(=NN=C(N)SC)OCC
InChIInChI=1S/C9H19N3OS/c1-4-6-7-8(13-5-2)11-12-9(10)14-3/h4-7H2,1-3H3,(H2,10,12)
InChIKeyGTUBLYVHQUZSBW-UHFFFAOYSA-N
MW217.34 g/mol
LogP2.20
Rot. Bonds5

About ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate

ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate (PubChem CID 85132381) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate.

Molecular Properties

Compound Nameethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate
PubChem CID85132381
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Nameethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate
SMILESCCCCC(=NN=C(N)SC)OCC
InChIInChI=1S/C9H19N3OS/c1-4-6-7-8(13-5-2)11-12-9(10)14-3/h4-7H2,1-3H3,(H2,10,12)
InChIKeyGTUBLYVHQUZSBW-UHFFFAOYSA-N
XLogP2.20
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-hydroxypentanimidate
CID 173290814
methyl N'-hexylcarbamimidothioate
CID 157360407
methyl N-methylpentanimidate
CID 89172529
N'-diazenylpentanimidamide
CID 143625651
ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
CID 134986578
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
methyl N'-(2,2-diethoxyethyl)carbamimidothioate
CID 15816903
ethyl (3Z)-3-[iodo(methylsulfanyl)methylidene]dodecanoate
CID 102282494
diethyl (Z)-2,3-dibutylbut-2-enedioate;stannane
CID 173106859
methyl N'-[(E)-[(E)-4-(4-ethoxyphenyl)but-3-en-2-ylidene]amino]carbamimidothioate
CID 11821050
N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
CID 123587898
methyl N'-(2,2-diethoxyethyl)carbamimidothioate;hydrochloride
CID 173292091

Frequently Asked Questions

What is the IUPAC name of ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate?
The IUPAC name of ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate (CID 85132381) is ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate.
What is the SMILES notation for ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate?
The canonical SMILES for ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate is CCCCC(=NN=C(N)SC)OCC.
What is the InChIKey of ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate?
The InChIKey is GTUBLYVHQUZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-4-6-7-8(13-5-2)11-12-9(10)14-3/h4-7H2,1-3H3,(H2,10,12).
What are the key properties of ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate?
ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate has a molecular weight of 217.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[amino(methylsulfanyl)methylidene]pentanehydrazonate is sourced from PubChem (CID 85132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).