[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine

C13H21N5O2S — CID 79165397

IUPAC[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine
SMILESCN1C2CCC1CN(S(=O)(=O)c1ccnc(NN)c1)CC2
InChIInChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)12-4-6-15-13(8-12)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyWYYICTSTFMKNLE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.22
Rot. Bonds3

About [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine

[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine (PubChem CID 79165397) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine
PubChem CID79165397
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine
SMILESCN1C2CCC1CN(S(=O)(=O)c1ccnc(NN)c1)CC2
InChIInChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)12-4-6-15-13(8-12)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyWYYICTSTFMKNLE-UHFFFAOYSA-N
XLogP0.22
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.22
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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Related Compounds

[4-(3-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61226431
3-[(2-chloro-4-pyridinyl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170156
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
CID 79165396
[4-(2,6-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 54895491
[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 93429423
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
[4-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 54895589
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-pyridinyl]hydrazine
CID 61004578
N-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 55044279
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-ethylpyridin-2-amine
CID 79933811

Frequently Asked Questions

What is the IUPAC name of [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine (CID 79165397) is [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine is CN1C2CCC1CN(S(=O)(=O)c1ccnc(NN)c1)CC2.
What is the InChIKey of [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine?
The InChIKey is WYYICTSTFMKNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)12-4-6-15-13(8-12)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16).
What are the key properties of [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine?
[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine has a molecular weight of 311.41 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79165397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).