2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol

C15H29NS — CID 114279629

IUPAC2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
SMILESCCCC(CS)CN1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-6-14(12-17)11-16-10-9-15(13-16)7-4-3-5-8-15/h14,17H,2-13H2,1H3
InChIKeyGEGXHHZLZGWUGU-UHFFFAOYSA-N
MW255.47 g/mol
LogP3.99
Rot. Bonds5

About 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol

2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol (PubChem CID 114279629) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol.

Molecular Properties

Compound Name2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
PubChem CID114279629
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC Name2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
SMILESCCCC(CS)CN1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29NS/c1-2-6-14(12-17)11-16-10-9-15(13-16)7-4-3-5-8-15/h14,17H,2-13H2,1H3
InChIKeyGEGXHHZLZGWUGU-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
(2S)-1-(2-azaspiro[4.5]decan-2-yl)propan-2-amine
CID 130516410
7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
CID 171656992
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198
1-(3-azaspiro[5.5]undecan-3-yl)pentan-2-amine
CID 62938096
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786
1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
CID 114279506
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol?
The IUPAC name of 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol (CID 114279629) is 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol.
What is the SMILES notation for 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol?
The canonical SMILES for 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol is CCCC(CS)CN1CCC2(CCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol?
The InChIKey is GEGXHHZLZGWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-2-6-14(12-17)11-16-10-9-15(13-16)7-4-3-5-8-15/h14,17H,2-13H2,1H3.
What are the key properties of 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol?
2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol has a molecular weight of 255.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol is sourced from PubChem (CID 114279629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).