1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine

C10H17N4O2S- — CID 155396534

IUPAC1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
SMILESCN1CCCC(N(c2cnn(C)c2)S(=O)[O-])C1
InChIInChI=1S/C10H18N4O2S/c1-12-5-3-4-9(7-12)14(17(15)16)10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)/p-1
InChIKeyGZQJBFWXGDEJEN-UHFFFAOYSA-M
MW257.34 g/mol
LogP0.11
Rot. Bonds3

About 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine

1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine (PubChem CID 155396534) has the molecular formula C10H17N4O2S- and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
PubChem CID155396534
Molecular FormulaC10H17N4O2S-
Molecular Weight257.34 g/mol
Exact Mass257.11
IUPAC Name1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine
SMILESCN1CCCC(N(c2cnn(C)c2)S(=O)[O-])C1
InChIInChI=1S/C10H18N4O2S/c1-12-5-3-4-9(7-12)14(17(15)16)10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)/p-1
InChIKeyGZQJBFWXGDEJEN-UHFFFAOYSA-M
XLogP0.11
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-3-yl)-N-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 155737799
(3S)-1-methyl-3-[(1-methylpyrazol-4-yl)-sulfamoylamino]piperidine;hydrochloride
CID 155389382
2-(3,5-dimethylphenyl)-N-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfinamoyl]acetamide
CID 155396509
1-(5-chloro-2-propan-2-ylthiophen-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
CID 155737639
2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750462
1-(2-ethyl-5-propan-2-ylfuran-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
CID 155737703
1-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-3-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)amino]sulfanylurea
CID 155400875
1-(2,5-dimethylthiophen-3-yl)-1-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 175712963
sodium (3-chloro-5-propan-2-ylphenyl)carbamoyl-[(1-methylpiperidin-3-yl)-(1-methylpyrazol-4-yl)sulfamoyl]azanide
CID 158189065
tert-butyl N-[(1-cyclopropylpyrazol-4-yl)-(1-methylpiperidin-3-yl)amino]sulfanylcarbamate
CID 155400863
1-(5-chloro-2-propan-2-ylthiophen-3-yl)-3-[[(3S)-1-methylpiperidin-3-yl]-(1-methylpyrazol-4-yl)sulfamoyl]urea
CID 155388875
(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-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine?
The IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine (CID 155396534) is 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine?
The canonical SMILES for 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine is CN1CCCC(N(c2cnn(C)c2)S(=O)[O-])C1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine?
The InChIKey is GZQJBFWXGDEJEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N4O2S/c1-12-5-3-4-9(7-12)14(17(15)16)10-6-11-13(2)8-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,16)/p-1.
What are the key properties of 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine?
1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine has a molecular weight of 257.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrazol-4-yl)-sulfinatoamino]piperidine is sourced from PubChem (CID 155396534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).