(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C17H24N2O3S — CID 97484451

IUPAC(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1C[C@]2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3/t17-/m0/s1
InChIKeyUHQWVDYYKRITOX-KRWDZBQOSA-N
MW336.46 g/mol
LogP2.38
Rot. Bonds5

About (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 97484451) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID97484451
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1C[C@]2(CCCCN2C(=O)c2ccsc2)CC1=O
InChIInChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3/t17-/m0/s1
InChIKeyUHQWVDYYKRITOX-KRWDZBQOSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-(3-methoxypropyl)-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131643854
(5S,10S)-10-ethyl-1-(2-methoxyethyl)-9-(thiophene-3-carbonyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375583
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
2-ethyl-6-(1H-pyrazole-5-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 131688661
[11-(2-methoxyethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-3-ylmethanone
CID 131661217
(3aS,8aS)-2-(2-methoxyethyl)-5-(thiophene-3-carbonyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124790409
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
(3aS,7aR)-5-(2-methoxyethyl)-2-(thiophene-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 125205857
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
6-(furan-2-carbonyl)-2-methyl-2,6-diazaspiro[4.5]decan-3-one
CID 134073885
(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 (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 97484451) is (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is COCCCN1C[C@]2(CCCCN2C(=O)c2ccsc2)CC1=O.
What is the InChIKey of (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is UHQWVDYYKRITOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-22-9-4-7-18-13-17(11-15(18)20)6-2-3-8-19(17)16(21)14-5-10-23-12-14/h5,10,12H,2-4,6-9,11,13H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
(5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 336.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97484451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).