2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C18H25N3O3S — CID 131639415

IUPAC2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccsc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H25N3O3S/c1-13(2)16(23)20-5-6-21(17(24)14-4-7-25-9-14)12-18(11-20)8-15(22)19(3)10-18/h4,7,9,13H,5-6,8,10-12H2,1-3H3
InChIKeyBTGDWIXFVCNEOE-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 131639415) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID131639415
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2ccsc2)CC2(CC(=O)N(C)C2)C1
InChIInChI=1S/C18H25N3O3S/c1-13(2)16(23)20-5-6-21(17(24)14-4-7-25-9-14)12-18(11-20)8-15(22)19(3)10-18/h4,7,9,13H,5-6,8,10-12H2,1-3H3
InChIKeyBTGDWIXFVCNEOE-UHFFFAOYSA-N
XLogP1.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one with MolForge

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Related Compounds

(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
2-methyl-10-(2-methylpropanoyl)-7-(pyridine-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131650256
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
(5R)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360086
(5S)-2-methyl-10-(2-methylpropanoyl)-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360085
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 131639415) is 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CC(C)C(=O)N1CCN(C(=O)c2ccsc2)CC2(CC(=O)N(C)C2)C1.
What is the InChIKey of 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is BTGDWIXFVCNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13(2)16(23)20-5-6-21(17(24)14-4-7-25-9-14)12-18(11-20)8-15(22)19(3)10-18/h4,7,9,13H,5-6,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 363.48 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(2-methylpropanoyl)-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 131639415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).