N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide

C11H18N6O2S — CID 863319

IUPACN'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)12-13-10(19)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19)
InChIKeyLQSRQRQMDXEKGR-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.03
Rot. Bonds4

About N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide

N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide (PubChem CID 863319) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
PubChem CID863319
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide
SMILESCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1
InChIInChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)12-13-10(19)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19)
InChIKeyLQSRQRQMDXEKGR-UHFFFAOYSA-N
XLogP0.03
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 9231101
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 9231098
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
CID 2122299
ethyl (3R)-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxylate
CID 2359345
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 45197507
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1140739
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-cyclooctylacetamide
CID 27045923

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide (CID 863319) is N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide is Cn1nnnc1SCC(=O)NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
The InChIKey is LQSRQRQMDXEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-17-11(14-15-16-17)20-7-9(18)12-13-10(19)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19).
What are the key properties of N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide?
N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide has a molecular weight of 298.37 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 863319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).