6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine

C18H25ClN6S2 — CID 144887421

IUPAC6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine
SMILESNS.Nc1nc(N2CCC3(CCCC3)CC2)cnc1Sc1ccncc1Cl
InChIInChI=1S/C18H22ClN5S.H3NS/c19-13-11-21-8-3-14(13)25-17-16(20)23-15(12-22-17)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,23);2H,1H2
InChIKeyIXSQODZUXYVZKG-UHFFFAOYSA-N
MW425.03 g/mol
LogP4.21
Rot. Bonds3

About 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine

6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine (PubChem CID 144887421) has the molecular formula C18H25ClN6S2 and a molecular weight of 425.03 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine
PubChem CID144887421
Molecular FormulaC18H25ClN6S2
Molecular Weight425.03 g/mol
Exact Mass424.13
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine
SMILESNS.Nc1nc(N2CCC3(CCCC3)CC2)cnc1Sc1ccncc1Cl
InChIInChI=1S/C18H22ClN5S.H3NS/c19-13-11-21-8-3-14(13)25-17-16(20)23-15(12-22-17)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,23);2H,1H2
InChIKeyIXSQODZUXYVZKG-UHFFFAOYSA-N
XLogP4.21
TPSA93.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.03
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-chlorophenyl)sulfanyl-6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;2-methylpropane;thiohydroxylamine
CID 144887467
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
1-[4-(3-amino-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl)sulfanyl-3-chloro-2-pyridinyl]azetidin-2-one
CID 166781377
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415
3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
CID 135225757
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
3-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-amine
CID 166781287
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951

Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine (CID 144887421) is 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine is NS.Nc1nc(N2CCC3(CCCC3)CC2)cnc1Sc1ccncc1Cl.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine?
The InChIKey is IXSQODZUXYVZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5S.H3NS/c19-13-11-21-8-3-14(13)25-17-16(20)23-15(12-22-17)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,23);2H,1H2.
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine?
6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine has a molecular weight of 425.03 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine is sourced from PubChem (CID 144887421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).