[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine

C13H21N5O2S — CID 61442880

IUPAC[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
SMILESNNc1ncccc1S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5O2S/c14-16-13-12(2-1-5-15-13)21(19,20)18-8-6-17(7-9-18)10-11-3-4-11/h1-2,5,11H,3-4,6-10,14H2,(H,15,16)
InChIKeyLMIYXKMSMYELFZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.08
Rot. Bonds5

About [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine

[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine (PubChem CID 61442880) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
PubChem CID61442880
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine
SMILESNNc1ncccc1S(=O)(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H21N5O2S/c14-16-13-12(2-1-5-15-13)21(19,20)18-8-6-17(7-9-18)10-11-3-4-11/h1-2,5,11H,3-4,6-10,14H2,(H,15,16)
InChIKeyLMIYXKMSMYELFZ-UHFFFAOYSA-N
XLogP0.08
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine (CID 61442880) is [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine is NNc1ncccc1S(=O)(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is LMIYXKMSMYELFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c14-16-13-12(2-1-5-15-13)21(19,20)18-8-6-17(7-9-18)10-11-3-4-11/h1-2,5,11H,3-4,6-10,14H2,(H,15,16).
What are the key properties of [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine?
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 311.41 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 61442880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).