1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine

C10H19N5O2S — CID 155389600

IUPAC1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine
SMILESCN1CCC(NN(c2cnn(C)c2)S(=O)O)CC1
InChIInChI=1S/C10H19N5O2S/c1-13-5-3-9(4-6-13)12-15(18(16)17)10-7-11-14(2)8-10/h7-9,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyYWBCYKWBVQIXGD-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.04
Rot. Bonds4

About 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine

1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine (PubChem CID 155389600) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine
PubChem CID155389600
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine
SMILESCN1CCC(NN(c2cnn(C)c2)S(=O)O)CC1
InChIInChI=1S/C10H19N5O2S/c1-13-5-3-9(4-6-13)12-15(18(16)17)10-7-11-14(2)8-10/h7-9,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyYWBCYKWBVQIXGD-UHFFFAOYSA-N
XLogP-0.04
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(oxolan-2-ylmethylamino)-sulfinoamino]pyrazole
CID 155389004
1,1-dimethyl-2-(1-methylpiperidin-4-yl)hydrazine
CID 83005655
1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
CID 155396534
1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225318
CID 68747406
CID 68747406
N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 155737799
2-(3,5-dimethylphenyl)-N-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfinamoyl]acetamide
CID 155396509
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
CID 155389382
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119893068
(3R)-1-methyl-3-[[(1-propan-2-ylpyrazol-4-yl)amino]-sulfinoamino]piperidine
CID 155389802

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine?
The IUPAC name of 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine (CID 155389600) is 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine.
What is the SMILES notation for 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine?
The canonical SMILES for 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine is CN1CCC(NN(c2cnn(C)c2)S(=O)O)CC1.
What is the InChIKey of 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine?
The InChIKey is YWBCYKWBVQIXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-13-5-3-9(4-6-13)12-15(18(16)17)10-7-11-14(2)8-10/h7-9,12H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine?
1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine has a molecular weight of 273.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-sulfinohydrazinyl]piperidine is sourced from PubChem (CID 155389600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).