1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol

C12H24N2OS — CID 155091542

IUPAC1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol
SMILESCOC1C[C@@H](N)C2(CCN(C(C)S)CC2)C1
InChIInChI=1S/C12H24N2OS/c1-9(16)14-5-3-12(4-6-14)8-10(15-2)7-11(12)13/h9-11,16H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyDZOMWCIKQJXIJP-VQXHTEKXSA-N
MW244.40 g/mol
LogP1.48
Rot. Bonds2

About 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol

1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol (PubChem CID 155091542) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol.

Molecular Properties

Compound Name1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol
PubChem CID155091542
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol
SMILESCOC1C[C@@H](N)C2(CCN(C(C)S)CC2)C1
InChIInChI=1S/C12H24N2OS/c1-9(16)14-5-3-12(4-6-14)8-10(15-2)7-11(12)13/h9-11,16H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyDZOMWCIKQJXIJP-VQXHTEKXSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-methyl-6-azaspiro[3.4]octan-6-yl]ethanethiol
CID 130223482
(5-methoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824122
(7-methoxyspiro[2.5]octan-2-yl)methanamine
CID 106874327
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
5-propan-2-yl-5-azaspiro[2.5]octan-2-amine
CID 155648637
5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride
CID 90019437
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
1-(6-methyl-6-azaspiro[2.5]octan-2-yl)propan-2-amine
CID 84658706
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The IUPAC name of 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol (CID 155091542) is 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol.
What is the SMILES notation for 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The canonical SMILES for 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol is COC1C[C@@H](N)C2(CCN(C(C)S)CC2)C1.
What is the InChIKey of 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol?
The InChIKey is DZOMWCIKQJXIJP-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(16)14-5-3-12(4-6-14)8-10(15-2)7-11(12)13/h9-11,16H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol?
1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol has a molecular weight of 244.40 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]ethanethiol is sourced from PubChem (CID 155091542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).