N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide

C26H36N4O2S — CID 10671996

IUPACN-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(N[C@H](C)c4ccccc4)CC3)c2c1
InChIInChI=1S/C26H36N4O2S/c1-20(22-7-4-3-5-8-22)29-24-12-15-30(16-13-24)14-6-9-23-18-28-26-11-10-21(17-25(23)26)19-33(31,32)27-2/h3-5,7-8,10-11,17-18,20,24,27-29H,6,9,12-16,19H2,1-2H3/t20-/m1/s1
InChIKeyYOVRNMNYANWSRR-HXUWFJFHSA-N
MW468.67 g/mol
LogP3.96
Rot. Bonds10

About N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide

N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide (PubChem CID 10671996) has the molecular formula C26H36N4O2S and a molecular weight of 468.67 g/mol. Its IUPAC name is N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide
PubChem CID10671996
Molecular FormulaC26H36N4O2S
Molecular Weight468.67 g/mol
Exact Mass468.26
IUPAC NameN-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(N[C@H](C)c4ccccc4)CC3)c2c1
InChIInChI=1S/C26H36N4O2S/c1-20(22-7-4-3-5-8-22)29-24-12-15-30(16-13-24)14-6-9-23-18-28-26-11-10-21(17-25(23)26)19-33(31,32)27-2/h3-5,7-8,10-11,17-18,20,24,27-29H,6,9,12-16,19H2,1-2H3/t20-/m1/s1
InChIKeyYOVRNMNYANWSRR-HXUWFJFHSA-N
XLogP3.96
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide (CID 10671996) is N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide is CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(N[C@H](C)c4ccccc4)CC3)c2c1.
What is the InChIKey of N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide?
The InChIKey is YOVRNMNYANWSRR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N4O2S/c1-20(22-7-4-3-5-8-22)29-24-12-15-30(16-13-24)14-6-9-23-18-28-26-11-10-21(17-25(23)26)19-33(31,32)27-2/h3-5,7-8,10-11,17-18,20,24,27-29H,6,9,12-16,19H2,1-2H3/t20-/m1/s1.
What are the key properties of N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide?
N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide has a molecular weight of 468.67 g/mol, XLogP of 3.96, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 10671996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).