(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N2O3S — CID 97113542

IUPAC(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1c(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)csc1C
InChIInChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3/t18-/m0/s1
InChIKeyFXRBOTFCUYVHIK-SFHVURJKSA-N
MW350.48 g/mol
LogP2.07
Rot. Bonds4

About (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97113542) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97113542
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1c(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)csc1C
InChIInChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3/t18-/m0/s1
InChIKeyFXRBOTFCUYVHIK-SFHVURJKSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148031
(5R)-7-(2-hydroxyethyl)-2-(1,2,5-trimethylpyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119188
7-(2-hydroxyethyl)-2-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861988
(5S)-7-(2-hydroxyethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126925
7-methyl-2-(5-methyl-4-phenylthiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922240
azocan-1-yl-(4-ethyl-5-methylthiophen-3-yl)methanone
CID 6468462
2-(4-chloro-1-methylpyrazole-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72910141
(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124790
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
7-(2-hydroxyethyl)-2-[5-(methoxymethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72902518
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97151866

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97113542) is (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1c(C(=O)N2CC[C@@]3(CCCN(CCO)C3=O)C2)csc1C.
What is the InChIKey of (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FXRBOTFCUYVHIK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-14-13(2)24-11-15(14)16(22)20-8-6-18(12-20)5-4-7-19(9-10-21)17(18)23/h11,21H,3-10,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.48 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).