N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine

C12H17N3OS — CID 75482481

IUPACN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
SMILESc1cnc(NC2CCOC3(CCSC3)C2)cn1
InChIInChI=1S/C12H17N3OS/c1-5-16-12(2-6-17-9-12)7-10(1)15-11-8-13-3-4-14-11/h3-4,8,10H,1-2,5-7,9H2,(H,14,15)
InChIKeyUZJJEDFNCRFPPW-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.94
Rot. Bonds2

About N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine

N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine (PubChem CID 75482481) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
PubChem CID75482481
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
SMILESc1cnc(NC2CCOC3(CCSC3)C2)cn1
InChIInChI=1S/C12H17N3OS/c1-5-16-12(2-6-17-9-12)7-10(1)15-11-8-13-3-4-14-11/h3-4,8,10H,1-2,5-7,9H2,(H,14,15)
InChIKeyUZJJEDFNCRFPPW-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
3-nitro-N-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyridin-4-amine
CID 97324835
5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133451315
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71847247
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]pyrazin-2-amine
CID 39796668
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869

Frequently Asked Questions

What is the IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine?
The IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine (CID 75482481) is N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine.
What is the SMILES notation for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine?
The canonical SMILES for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine is c1cnc(NC2CCOC3(CCSC3)C2)cn1.
What is the InChIKey of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine?
The InChIKey is UZJJEDFNCRFPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-16-12(2-6-17-9-12)7-10(1)15-11-8-13-3-4-14-11/h3-4,8,10H,1-2,5-7,9H2,(H,14,15).
What are the key properties of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine?
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine is sourced from PubChem (CID 75482481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).