trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C25H40N2O4S — CID 58363283

IUPACtrans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCCCC1(S(=O)(=O)NC(=O)[C@@]2(CC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@H]2CC)CC1
InChIInChI=1S/C25H40N2O4S/c1-5-8-22(11-12-22)32(30,31)27-20(29)23(13-17(23)6-2)15-19(28)18-14-25(16-26-18)21(3,4)24(25)9-7-10-24/h17-18,26H,5-16H2,1-4H3,(H,27,29)/t17-,18+,23-,25-/m1/s1
InChIKeyYTQKVCVYDIGKFB-IUPPTMKVSA-N
MW464.67 g/mol
LogP3.70
Rot. Bonds9

About trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide

trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 58363283) has the molecular formula C25H40N2O4S and a molecular weight of 464.67 g/mol. Its IUPAC name is trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide
PubChem CID58363283
Molecular FormulaC25H40N2O4S
Molecular Weight464.67 g/mol
Exact Mass464.27
IUPAC Nametrans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide
SMILESCCCC1(S(=O)(=O)NC(=O)[C@@]2(CC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@H]2CC)CC1
InChIInChI=1S/C25H40N2O4S/c1-5-8-22(11-12-22)32(30,31)27-20(29)23(13-17(23)6-2)15-19(28)18-14-25(16-26-18)21(3,4)24(25)9-7-10-24/h17-18,26H,5-16H2,1-4H3,(H,27,29)/t17-,18+,23-,25-/m1/s1
InChIKeyYTQKVCVYDIGKFB-IUPPTMKVSA-N
XLogP3.70
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.67
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 58363283) is trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide is CCCC1(S(=O)(=O)NC(=O)[C@@]2(CC(=O)[C@@H]3C[C@@]4(CN3)C(C)(C)C43CCC3)C[C@H]2CC)CC1.
What is the InChIKey of trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is YTQKVCVYDIGKFB-IUPPTMKVSA-N. The full InChI is InChI=1S/C25H40N2O4S/c1-5-8-22(11-12-22)32(30,31)27-20(29)23(13-17(23)6-2)15-19(28)18-14-25(16-26-18)21(3,4)24(25)9-7-10-24/h17-18,26H,5-16H2,1-4H3,(H,27,29)/t17-,18+,23-,25-/m1/s1.
What are the key properties of trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide?
trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 464.67 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-[2-[(5R,8S)-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-oxoethyl]-2-ethyl-N-(1-propylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 58363283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).