1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol

C12H24N2S — CID 130380883

IUPAC1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
SMILESCC(C)N1CCC2(CCN(C(C)S)C2)C1
InChIInChI=1S/C12H24N2S/c1-10(2)13-6-4-12(8-13)5-7-14(9-12)11(3)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQJSRDVQUYKEKHO-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.07
Rot. Bonds2

About 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol

1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol (PubChem CID 130380883) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
PubChem CID130380883
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
SMILESCC(C)N1CCC2(CCN(C(C)S)C2)C1
InChIInChI=1S/C12H24N2S/c1-10(2)13-6-4-12(8-13)5-7-14(9-12)11(3)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQJSRDVQUYKEKHO-UHFFFAOYSA-N
XLogP2.07
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
8-iodo-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 135200103
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171

Frequently Asked Questions

What is the IUPAC name of 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol?
The IUPAC name of 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol (CID 130380883) is 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol.
What is the SMILES notation for 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol?
The canonical SMILES for 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol is CC(C)N1CCC2(CCN(C(C)S)C2)C1.
What is the InChIKey of 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol?
The InChIKey is QJSRDVQUYKEKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10(2)13-6-4-12(8-13)5-7-14(9-12)11(3)15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol?
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol has a molecular weight of 228.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol is sourced from PubChem (CID 130380883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).