N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

C21H30F3N3O3S — CID 69026408

IUPACN-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C1CCN(C(=O)[C@H]2CCC(N)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O3S/c1-14(2)27(31(29,30)19-5-3-4-16(13-19)21(22,23)24)18-8-10-26(11-9-18)20(28)15-6-7-17(25)12-15/h3-5,13-15,17-18H,6-12,25H2,1-2H3/t15-,17?/m0/s1
InChIKeyFJJOZSUJQLCVIW-MYJWUSKBSA-N
MW461.55 g/mol
LogP3.22
Rot. Bonds5

About N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 69026408) has the molecular formula C21H30F3N3O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID69026408
Molecular FormulaC21H30F3N3O3S
Molecular Weight461.55 g/mol
Exact Mass461.20
IUPAC NameN-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(C1CCN(C(=O)[C@H]2CCC(N)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H30F3N3O3S/c1-14(2)27(31(29,30)19-5-3-4-16(13-19)21(22,23)24)18-8-10-26(11-9-18)20(28)15-6-7-17(25)12-15/h3-5,13-15,17-18H,6-12,25H2,1-2H3/t15-,17?/m0/s1
InChIKeyFJJOZSUJQLCVIW-MYJWUSKBSA-N
XLogP3.22
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 69026408) is N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is CC(C)N(C1CCN(C(=O)[C@H]2CCC(N)C2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FJJOZSUJQLCVIW-MYJWUSKBSA-N. The full InChI is InChI=1S/C21H30F3N3O3S/c1-14(2)27(31(29,30)19-5-3-4-16(13-19)21(22,23)24)18-8-10-26(11-9-18)20(28)15-6-7-17(25)12-15/h3-5,13-15,17-18H,6-12,25H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?
N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-3-aminocyclopentanecarbonyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69026408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).