2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol

C24H32N4O3S — CID 67451646

IUPAC2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol
SMILESCc1cncc(N2[C@@]3(CCN(Cc4ccc(O)c(C5CCC5)c4)[C@@H](C)C3)CCS2(=O)=O)n1
InChIInChI=1S/C24H32N4O3S/c1-17-14-25-15-23(26-17)28-24(9-11-32(28,30)31)8-10-27(18(2)13-24)16-19-6-7-22(29)21(12-19)20-4-3-5-20/h6-7,12,14-15,18,20,29H,3-5,8-11,13,16H2,1-2H3/t18-,24-/m0/s1
InChIKeyCXBNNNRZTZWVFA-UUOWRZLLSA-N
MW456.61 g/mol
LogP3.72
Rot. Bonds4

About 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol

2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol (PubChem CID 67451646) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol.

Molecular Properties

Compound Name2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol
PubChem CID67451646
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC Name2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol
SMILESCc1cncc(N2[C@@]3(CCN(Cc4ccc(O)c(C5CCC5)c4)[C@@H](C)C3)CCS2(=O)=O)n1
InChIInChI=1S/C24H32N4O3S/c1-17-14-25-15-23(26-17)28-24(9-11-32(28,30)31)8-10-27(18(2)13-24)16-19-6-7-22(29)21(12-19)20-4-3-5-20/h6-7,12,14-15,18,20,29H,3-5,8-11,13,16H2,1-2H3/t18-,24-/m0/s1
InChIKeyCXBNNNRZTZWVFA-UUOWRZLLSA-N
XLogP3.72
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol?
The IUPAC name of 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol (CID 67451646) is 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol.
What is the SMILES notation for 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol?
The canonical SMILES for 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol is Cc1cncc(N2[C@@]3(CCN(Cc4ccc(O)c(C5CCC5)c4)[C@@H](C)C3)CCS2(=O)=O)n1.
What is the InChIKey of 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol?
The InChIKey is CXBNNNRZTZWVFA-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-17-14-25-15-23(26-17)28-24(9-11-32(28,30)31)8-10-27(18(2)13-24)16-19-6-7-22(29)21(12-19)20-4-3-5-20/h6-7,12,14-15,18,20,29H,3-5,8-11,13,16H2,1-2H3/t18-,24-/m0/s1.
What are the key properties of 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol?
2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol has a molecular weight of 456.61 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[[(5R,7S)-7-methyl-1-(6-methylpyrazin-2-yl)-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]phenol is sourced from PubChem (CID 67451646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).