6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C16H24N4O2S — CID 118745526

IUPAC6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC2(C1)CN(c1ccsc1)C(=O)CN2C
InChIInChI=1S/C16H24N4O2S/c1-12(2)17-15(22)19-6-5-16(10-19)11-20(13-4-7-23-9-13)14(21)8-18(16)3/h4,7,9,12H,5-6,8,10-11H2,1-3H3,(H,17,22)
InChIKeyMYJPBVPLBSOTCK-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.59
Rot. Bonds2

About 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 118745526) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID118745526
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CCC2(C1)CN(c1ccsc1)C(=O)CN2C
InChIInChI=1S/C16H24N4O2S/c1-12(2)17-15(22)19-6-5-16(10-19)11-20(13-4-7-23-9-13)14(21)8-18(16)3/h4,7,9,12H,5-6,8,10-11H2,1-3H3,(H,17,22)
InChIKeyMYJPBVPLBSOTCK-UHFFFAOYSA-N
XLogP1.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 118745526) is 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CCC2(C1)CN(c1ccsc1)C(=O)CN2C.
What is the InChIKey of 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is MYJPBVPLBSOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(2)17-15(22)19-6-5-16(10-19)11-20(13-4-7-23-9-13)14(21)8-18(16)3/h4,7,9,12H,5-6,8,10-11H2,1-3H3,(H,17,22).
What are the key properties of 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-oxo-N-propan-2-yl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118745526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).