2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine

C14H26N4S — CID 171489243

IUPAC2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine
SMILESCC(C)C.SNC1c2ccnn2CC12CCNCC2
InChIInChI=1S/C10H16N4S.C4H10/c15-13-9-8-1-4-12-14(8)7-10(9)2-5-11-6-3-10;1-4(2)3/h1,4,9,11,13,15H,2-3,5-7H2;4H,1-3H3
InChIKeyASSCNFWXOVIRCW-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.40
Rot. Bonds1

About 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine

2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine (PubChem CID 171489243) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine.

Molecular Properties

Compound Name2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine
PubChem CID171489243
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine
SMILESCC(C)C.SNC1c2ccnn2CC12CCNCC2
InChIInChI=1S/C10H16N4S.C4H10/c15-13-9-8-1-4-12-14(8)7-10(9)2-5-11-6-3-10;1-4(2)3/h1,4,9,11,13,15H,2-3,5-7H2;4H,1-3H3
InChIKeyASSCNFWXOVIRCW-UHFFFAOYSA-N
XLogP2.40
TPSA41.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
3-[1-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)-1H-1,2,3-triazol-4-yl]piperidine
CID 72844951
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
1-methyl-5-(pyrrolidin-2-yl)-1H-pyrazole dihydrochloride
CID 132300798
1-methyl-3-(pyrrolidin-2-yl)-1H-pyrazole hydrochloride
CID 145874569

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine?
The IUPAC name of 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine (CID 171489243) is 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine.
What is the SMILES notation for 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine?
The canonical SMILES for 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine is CC(C)C.SNC1c2ccnn2CC12CCNCC2.
What is the InChIKey of 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine?
The InChIKey is ASSCNFWXOVIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S.C4H10/c15-13-9-8-1-4-12-14(8)7-10(9)2-5-11-6-3-10;1-4(2)3/h1,4,9,11,13,15H,2-3,5-7H2;4H,1-3H3.
What are the key properties of 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine?
2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine has a molecular weight of 282.46 g/mol, XLogP of 2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;N-spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-ylthiohydroxylamine is sourced from PubChem (CID 171489243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).