6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C16H25BrN2S — CID 64840241

IUPAC6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1
InChIInChI=1S/C16H25BrN2S/c1-12(2)14-10-19(9-13-5-6-15(17)20-13)16(11-18-14)7-3-4-8-16/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyNLWXRDRTNKATIL-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.25
Rot. Bonds3

About 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64840241) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64840241
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1
InChIInChI=1S/C16H25BrN2S/c1-12(2)14-10-19(9-13-5-6-15(17)20-13)16(11-18-14)7-3-4-8-16/h5-6,12,14,18H,3-4,7-11H2,1-2H3
InChIKeyNLWXRDRTNKATIL-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64840241) is 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CN(Cc2ccc(Br)s2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is NLWXRDRTNKATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c1-12(2)14-10-19(9-13-5-6-15(17)20-13)16(11-18-14)7-3-4-8-16/h5-6,12,14,18H,3-4,7-11H2,1-2H3.
What are the key properties of 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 357.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64840241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).