2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane

C14H26N2S — CID 170255368

IUPAC2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CC(N2CC3(CCSCC3)C2)C1
InChIInChI=1S/C14H26N2S/c1-13(2,3)16-8-12(9-16)15-10-14(11-15)4-6-17-7-5-14/h12H,4-11H2,1-3H3
InChIKeyQJPFWZDPARSGBM-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.30
Rot. Bonds1

About 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane

2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane (PubChem CID 170255368) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane
PubChem CID170255368
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane
SMILESCC(C)(C)N1CC(N2CC3(CCSCC3)C2)C1
InChIInChI=1S/C14H26N2S/c1-13(2,3)16-8-12(9-16)15-10-14(11-15)4-6-17-7-5-14/h12H,4-11H2,1-3H3
InChIKeyQJPFWZDPARSGBM-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane (CID 170255368) is 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane is CC(C)(C)N1CC(N2CC3(CCSCC3)C2)C1.
What is the InChIKey of 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane?
The InChIKey is QJPFWZDPARSGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-13(2,3)16-8-12(9-16)15-10-14(11-15)4-6-17-7-5-14/h12H,4-11H2,1-3H3.
What are the key properties of 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane?
2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane has a molecular weight of 254.44 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170255368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).