(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

C19H25N3O3S — CID 51932924

IUPAC(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C19H25N3O3S/c23-17-10-13(11-22(17)14-7-8-14)18(24)20-21-19(25)16-9-12-5-3-1-2-4-6-15(12)26-16/h9,13-14H,1-8,10-11H2,(H,20,24)(H,21,25)/t13-/m1/s1
InChIKeyPISZYDQPUBRIKK-CYBMUJFWSA-N
MW375.49 g/mol
LogP2.18
Rot. Bonds3

About (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 51932924) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID51932924
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C19H25N3O3S/c23-17-10-13(11-22(17)14-7-8-14)18(24)20-21-19(25)16-9-12-5-3-1-2-4-6-15(12)26-16/h9,13-14H,1-8,10-11H2,(H,20,24)(H,21,25)/t13-/m1/s1
InChIKeyPISZYDQPUBRIKK-CYBMUJFWSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51932925
N'-(1,1-dioxothiolane-3-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 55415997
(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 25433378
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
CID 26040079
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)oxolane-2-carbohydrazide
CID 24644257
(3R)-3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9090734
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 55634767
1-(1,3-benzoxazol-2-yl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 24607688
N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 46656696
N'-[(1R,2S)-2-nitrocyclopropanecarbonyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 51959310

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (CID 51932924) is (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(s1)CCCCCC2.
What is the InChIKey of (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is PISZYDQPUBRIKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-17-10-13(11-22(17)14-7-8-14)18(24)20-21-19(25)16-9-12-5-3-1-2-4-6-15(12)26-16/h9,13-14H,1-8,10-11H2,(H,20,24)(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 375.49 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N'-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 51932924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).