1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one

C10H18N2OS — CID 170184671

IUPAC1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(S)C2
InChIInChI=1S/C10H18N2OS/c1-2-9(13)11-5-3-10(4-6-11)7-12(14)8-10/h14H,2-8H2,1H3
InChIKeyFFLRBJFSZNCDJC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.17
Rot. Bonds1

About 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one

1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one (PubChem CID 170184671) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
PubChem CID170184671
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(S)C2
InChIInChI=1S/C10H18N2OS/c1-2-9(13)11-5-3-10(4-6-11)7-12(14)8-10/h14H,2-8H2,1H3
InChIKeyFFLRBJFSZNCDJC-UHFFFAOYSA-N
XLogP1.17
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.17
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

1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
1-(3-methyl-3-sulfanylpyrrolidin-1-yl)propan-1-one
CID 123989065
1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
CID 176934433
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 175321158
2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
CID 169000386
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The IUPAC name of 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one (CID 170184671) is 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one.
What is the SMILES notation for 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The canonical SMILES for 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one is CCC(=O)N1CCC2(CC1)CN(S)C2.
What is the InChIKey of 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The InChIKey is FFLRBJFSZNCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-9(13)11-5-3-10(4-6-11)7-12(14)8-10/h14H,2-8H2,1H3.
What are the key properties of 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one has a molecular weight of 214.33 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one is sourced from PubChem (CID 170184671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).