(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C17H23N3O3S — CID 97360190

IUPAC(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C17H23N3O3S/c1-3-18-10-17(9-15(18)22)11-19(13(2)21)6-7-20(12-17)16(23)14-5-4-8-24-14/h4-5,8H,3,6-7,9-12H2,1-2H3/t17-/m1/s1
InChIKeyRUXJPZBKCVYAFW-QGZVFWFLSA-N
MW349.46 g/mol
LogP1.29
Rot. Bonds2

About (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one

(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 97360190) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID97360190
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C17H23N3O3S/c1-3-18-10-17(9-15(18)22)11-19(13(2)21)6-7-20(12-17)16(23)14-5-4-8-24-14/h4-5,8H,3,6-7,9-12H2,1-2H3/t17-/m1/s1
InChIKeyRUXJPZBKCVYAFW-QGZVFWFLSA-N
XLogP1.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(5S)-10-acetyl-7-(4-chlorobenzoyl)-2-ethyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97439032
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360161
(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72940901
2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895883
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934

Frequently Asked Questions

What is the IUPAC name of (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 97360190) is (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1C[C@]2(CC1=O)CN(C(C)=O)CCN(C(=O)c1cccs1)C2.
What is the InChIKey of (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is RUXJPZBKCVYAFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-18-10-17(9-15(18)22)11-19(13(2)21)6-7-20(12-17)16(23)14-5-4-8-24-14/h4-5,8H,3,6-7,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 349.46 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 97360190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).