9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

C16H23BrN2S — CID 64875648

IUPAC9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESBrc1csc(CN2CC3(CCCC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23BrN2S/c17-13-7-14(20-10-13)9-19-11-16(5-1-2-6-16)18-8-15(19)12-3-4-12/h7,10,12,15,18H,1-6,8-9,11H2
InChIKeyRVUUYXHSAQRSSD-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.01
Rot. Bonds3

About 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (PubChem CID 64875648) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
PubChem CID64875648
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC Name9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESBrc1csc(CN2CC3(CCCC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23BrN2S/c17-13-7-14(20-10-13)9-19-11-16(5-1-2-6-16)18-8-15(19)12-3-4-12/h7,10,12,15,18H,1-6,8-9,11H2
InChIKeyRVUUYXHSAQRSSD-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 104812533
9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64877376
8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877763
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
1-[(4-bromothiophen-2-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64839682
1-[(4-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837942
(2S)-1-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine
CID 82705689
3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458748
1-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-5-methyl-2-(2-methylpropyl)piperazine
CID 64877308

Frequently Asked Questions

What is the IUPAC name of 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (CID 64875648) is 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is Brc1csc(CN2CC3(CCCC3)NCC2C2CC2)c1.
What is the InChIKey of 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The InChIKey is RVUUYXHSAQRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c17-13-7-14(20-10-13)9-19-11-16(5-1-2-6-16)18-8-15(19)12-3-4-12/h7,10,12,15,18H,1-6,8-9,11H2.
What are the key properties of 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane has a molecular weight of 355.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64875648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).