1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol

C10H20N2S — CID 146424323

IUPAC1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol
SMILESCC(S)N1CCC2(CC[C@H]2N)CC1
InChIInChI=1S/C10H20N2S/c1-8(13)12-6-4-10(5-7-12)3-2-9(10)11/h8-9,13H,2-7,11H2,1H3/t8?,9-/m1/s1
InChIKeySKAVCPWEWWGBIO-YGPZHTELSA-N
MW200.35 g/mol
LogP1.47
Rot. Bonds1

About 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol

1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol (PubChem CID 146424323) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol.

Molecular Properties

Compound Name1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol
PubChem CID146424323
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol
SMILESCC(S)N1CCC2(CC[C@H]2N)CC1
InChIInChI=1S/C10H20N2S/c1-8(13)12-6-4-10(5-7-12)3-2-9(10)11/h8-9,13H,2-7,11H2,1H3/t8?,9-/m1/s1
InChIKeySKAVCPWEWWGBIO-YGPZHTELSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol?
The IUPAC name of 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol (CID 146424323) is 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol.
What is the SMILES notation for 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol?
The canonical SMILES for 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol is CC(S)N1CCC2(CC[C@H]2N)CC1.
What is the InChIKey of 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol?
The InChIKey is SKAVCPWEWWGBIO-YGPZHTELSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(13)12-6-4-10(5-7-12)3-2-9(10)11/h8-9,13H,2-7,11H2,1H3/t8?,9-/m1/s1.
What are the key properties of 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol?
1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol has a molecular weight of 200.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-amino-7-azaspiro[3.5]nonan-7-yl]ethanethiol is sourced from PubChem (CID 146424323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).