3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride

C32H44ClN5O6S — CID 22875139

About 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride

3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride (PubChem CID 22875139) has the molecular formula C32H44ClN5O6S and a molecular weight of 662.25 g/mol. Its IUPAC name is 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride.

Molecular Properties

• Compound Name: 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride
• PubChem CID: 22875139
• Molecular Formula: C32H44ClN5O6S
• Molecular Weight: 662.25 g/mol
• Exact Mass: 661.27
• IUPAC Name: 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride
• SMILES: CC(C)(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12)NC[C@@H](O)CO.Cl
• InChI: InChI=1S/C32H43N5O6S.ClH/c1-31(2,34-19-23(39)20-38)17-29(40)35-27(16-22-18-33-26-10-6-4-8-24(22)26)30(41)36-14-12-32(13-15-36)21-37(44(3,42)43)28-11-7-5-9-25(28)32;/h4-11,18,23,27,33-34,38-39H,12-17,19-21H2,1-3H3,(H,35,40);1H/t23-,27-;/m1./s1
• InChIKey: RSESWPXUWNNXSR-CZDSLROLSA-N
• XLogP: 2.07
• TPSA: 155.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.25
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride?

The IUPAC name of 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride (CID 22875139) is 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride.

What is the SMILES notation for 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride?

The canonical SMILES for 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride is CC(C)(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12)NC[C@@H](O)CO.Cl.

What is the InChIKey of 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride?

The InChIKey is RSESWPXUWNNXSR-CZDSLROLSA-N. The full InChI is InChI=1S/C32H43N5O6S.ClH/c1-31(2,34-19-23(39)20-38)17-29(40)35-27(16-22-18-33-26-10-6-4-8-24(22)26)30(41)36-14-12-32(13-15-36)21-37(44(3,42)43)28-11-7-5-9-25(28)32;/h4-11,18,23,27,33-34,38-39H,12-17,19-21H2,1-3H3,(H,35,40);1H/t23-,27-;/m1./s1.

What are the key properties of 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride?

3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride has a molecular weight of 662.25 g/mol, XLogP of 2.07, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(2R)-2,3-dihydroxypropyl]amino]-N-[(2R)-3-(1H-indol-3-yl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 22875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).