7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane

C15H30N2S — CID 167136491

IUPAC7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCSCCCN1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H30N2S/c1-14(2)11-16-8-5-15(6-9-16)12-17(13-15)7-4-10-18-3/h14H,4-13H2,1-3H3
InChIKeyWDPQRKTZCOWSAW-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.79
Rot. Bonds6

About 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane

7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 167136491) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane
PubChem CID167136491
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane
SMILESCSCCCN1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H30N2S/c1-14(2)11-16-8-5-15(6-9-16)12-17(13-15)7-4-10-18-3/h14H,4-13H2,1-3H3
InChIKeyWDPQRKTZCOWSAW-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane (CID 167136491) is 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane is CSCCCN1CC2(CCN(CC(C)C)CC2)C1.
What is the InChIKey of 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is WDPQRKTZCOWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-14(2)11-16-8-5-15(6-9-16)12-17(13-15)7-4-10-18-3/h14H,4-13H2,1-3H3.
What are the key properties of 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane?
7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 270.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 167136491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).