4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide

C18H26N4O4S — CID 154570182

IUPAC4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C18H26N4O4S/c19-27(25,26)10-1-3-14(23)22-9-2-7-18(11-22)8-6-13-15(18)20-16(12-4-5-12)21-17(13)24/h12H,1-11H2,(H2,19,25,26)(H,20,21,24)
InChIKeyBVRSDHMBCNTUPS-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.52
Rot. Bonds5

About 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide

4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide (PubChem CID 154570182) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
PubChem CID154570182
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C18H26N4O4S/c19-27(25,26)10-1-3-14(23)22-9-2-7-18(11-22)8-6-13-15(18)20-16(12-4-5-12)21-17(13)24/h12H,1-11H2,(H2,19,25,26)(H,20,21,24)
InChIKeyBVRSDHMBCNTUPS-UHFFFAOYSA-N
XLogP0.52
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide with MolForge

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Related Compounds

2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410
2-cyclopropyl-1'-[3-(3-fluorophenyl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817498
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-cyclopropyl-1'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566323
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154570528
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817402
2-cyclopropyl-1'-(3-phenylpropyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154823599
2-tert-butyl-1'-(2-cyclohexylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816551

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide (CID 154570182) is 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1.
What is the InChIKey of 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide?
The InChIKey is BVRSDHMBCNTUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c19-27(25,26)10-1-3-14(23)22-9-2-7-18(11-22)8-6-13-15(18)20-16(12-4-5-12)21-17(13)24/h12H,1-11H2,(H2,19,25,26)(H,20,21,24).
What are the key properties of 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide?
4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 154570182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).