N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

C24H36F3N3O3S — CID 54674930

IUPACN-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN[C@@H](CC(C)C)C(=O)N1C[C@H]2CC[C@H](N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H]2C1
InChIInChI=1S/C24H36F3N3O3S/c1-15(2)11-21(28-5)23(31)29-13-17-9-10-22(20(17)14-29)30(16(3)4)34(32,33)19-8-6-7-18(12-19)24(25,26)27/h6-8,12,15-17,20-22,28H,9-11,13-14H2,1-5H3/t17-,20+,21+,22+/m1/s1
InChIKeyLZWSWMNHKKGTTA-MNAPGUCWSA-N
MW503.63 g/mol
LogP3.98
Rot. Bonds8

About N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 54674930) has the molecular formula C24H36F3N3O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID54674930
Molecular FormulaC24H36F3N3O3S
Molecular Weight503.63 g/mol
Exact Mass503.24
IUPAC NameN-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN[C@@H](CC(C)C)C(=O)N1C[C@H]2CC[C@H](N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H]2C1
InChIInChI=1S/C24H36F3N3O3S/c1-15(2)11-21(28-5)23(31)29-13-17-9-10-22(20(17)14-29)30(16(3)4)34(32,33)19-8-6-7-18(12-19)24(25,26)27/h6-8,12,15-17,20-22,28H,9-11,13-14H2,1-5H3/t17-,20+,21+,22+/m1/s1
InChIKeyLZWSWMNHKKGTTA-MNAPGUCWSA-N
XLogP3.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 54674930) is N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is CN[C@@H](CC(C)C)C(=O)N1C[C@H]2CC[C@H](N(C(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H]2C1.
What is the InChIKey of N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LZWSWMNHKKGTTA-MNAPGUCWSA-N. The full InChI is InChI=1S/C24H36F3N3O3S/c1-15(2)11-21(28-5)23(31)29-13-17-9-10-22(20(17)14-29)30(16(3)4)34(32,33)19-8-6-7-18(12-19)24(25,26)27/h6-8,12,15-17,20-22,28H,9-11,13-14H2,1-5H3/t17-,20+,21+,22+/m1/s1.
What are the key properties of N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 503.63 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,4S,6aS)-2-[(2S)-4-methyl-2-(methylamino)pentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 54674930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).