[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

C12H19ClN4O3S — CID 107393383

IUPAC[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCOC1(C)CCCN(S(=O)(=O)c2cnc(NN)c(Cl)c2)C1
InChIInChI=1S/C12H19ClN4O3S/c1-12(20-2)4-3-5-17(8-12)21(18,19)9-6-10(13)11(16-14)15-7-9/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyZLGSKFVLLCYPIO-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.21
Rot. Bonds4

About [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine

[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (PubChem CID 107393383) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
PubChem CID107393383
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
SMILESCOC1(C)CCCN(S(=O)(=O)c2cnc(NN)c(Cl)c2)C1
InChIInChI=1S/C12H19ClN4O3S/c1-12(20-2)4-3-5-17(8-12)21(18,19)9-6-10(13)11(16-14)15-7-9/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyZLGSKFVLLCYPIO-UHFFFAOYSA-N
XLogP1.21
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.21
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

3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 64601331
3-chloro-5-(3,3-dimethylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601329
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
2-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390440
4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107390951
[4-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]methanamine
CID 107396205
3,5-difluoro-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390370
1-(4-bromo-3-methylphenyl)sulfonyl-3-methoxy-3-methylpiperidine
CID 107394304
5-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpyridine
CID 107396156
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
1-[3-(3-methoxy-3-methylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107396221
methyl 5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
CID 107390968

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The IUPAC name of [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine (CID 107393383) is [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The canonical SMILES for [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is COC1(C)CCCN(S(=O)(=O)c2cnc(NN)c(Cl)c2)C1.
What is the InChIKey of [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
The InChIKey is ZLGSKFVLLCYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-12(20-2)4-3-5-17(8-12)21(18,19)9-6-10(13)11(16-14)15-7-9/h6-7H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine?
[3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine has a molecular weight of 334.83 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 107393383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).