(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C17H24N2O3S — CID 110202313

IUPAC(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCOCCCN(C(=O)c2cccs2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C17H24N2O3S/c20-16-13-5-1-2-6-14(13)19(9-4-10-22-11-8-18-16)17(21)15-7-3-12-23-15/h3,7,12-14H,1-2,4-6,8-11H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyAQCQZVAZYSTVHF-KGLIPLIRSA-N
MW336.46 g/mol
LogP2.29
Rot. Bonds1

About (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110202313) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110202313
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCOCCCN(C(=O)c2cccs2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C17H24N2O3S/c20-16-13-5-1-2-6-14(13)19(9-4-10-22-11-8-18-16)17(21)15-7-3-12-23-15/h3,7,12-14H,1-2,4-6,8-11H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyAQCQZVAZYSTVHF-KGLIPLIRSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridine-4-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612103
2-(4-chloro-2-methoxybenzoyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 171320455
(1S,11R)-N-cyclohexyl-10-oxo-6-oxa-2,9-diazabicyclo[9.3.0]tetradecane-2-carboxamide
CID 110202156
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630
2-(3-methoxypropanoyl)-6-oxa-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156612052
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
1-(5-methylpyrazine-2-carbonyl)-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 156612100
(8aR,11aS)-1-[2-(1H-indol-3-yl)acetyl]-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 110202363
10-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(thiophene-2-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 156612134
2-benzoyl-6-cyclopentyl-2,6,9-triazabicyclo[9.3.0]tetradecan-10-one
CID 156612221
(8aR,11aS)-1-(furan-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201526
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333

Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110202313) is (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one is O=C1NCCOCCCN(C(=O)c2cccs2)[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is AQCQZVAZYSTVHF-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-16-13-5-1-2-6-14(13)19(9-4-10-22-11-8-18-16)17(21)15-7-3-12-23-15/h3,7,12-14H,1-2,4-6,8-11H2,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 336.46 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(thiophene-2-carbonyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).