1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide

C11H22N4O2S — CID 66218506

IUPAC1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESNCCCSCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2S/c12-4-1-7-18-8-10(16)15-5-2-9(3-6-15)11(17)14-13/h9H,1-8,12-13H2,(H,14,17)
InChIKeyAXVFIJGPBHPGGY-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.70
Rot. Bonds6

About 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide

1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 66218506) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
PubChem CID66218506
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide
SMILESNCCCSCC(=O)N1CCC(C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2S/c12-4-1-7-18-8-10(16)15-5-2-9(3-6-15)11(17)14-13/h9H,1-8,12-13H2,(H,14,17)
InChIKeyAXVFIJGPBHPGGY-UHFFFAOYSA-N
XLogP-0.70
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66128765
1-[2-(2-aminobutylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66231444
2-(3-aminopropylsulfanyl)-1-piperazin-1-ylethanone
CID 66217030
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid
CID 43092584
2-[[2-[4-(hydrazinecarbonyl)piperidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 63574037
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63573012
1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide (CID 66218506) is 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide is NCCCSCC(=O)N1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is AXVFIJGPBHPGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c12-4-1-7-18-8-10(16)15-5-2-9(3-6-15)11(17)14-13/h9H,1-8,12-13H2,(H,14,17).
What are the key properties of 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide?
1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 274.39 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropylsulfanyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 66218506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).