N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride

C17H26ClN3O5S — CID 120509042

About N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120509042) has the molecular formula C17H26ClN3O5S and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 120509042
• Molecular Formula: C17H26ClN3O5S
• Molecular Weight: 419.93 g/mol
• Exact Mass: 419.13
• IUPAC Name: N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride
• SMILES: C[C@@H](CN)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.Cl
• InChI: InChI=1S/C17H25N3O5S.ClH/c1-12(11-18)19-17(21)13-4-6-20(7-5-13)26(22,23)14-2-3-15-16(10-14)25-9-8-24-15;/h2-3,10,12-13H,4-9,11,18H2,1H3,(H,19,21);1H/t12-;/m0./s1
• InChIKey: SFRSWMQQSHOIKP-YDALLXLXSA-N
• XLogP: 0.74
• TPSA: 110.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.93
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride (CID 120509042) is N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.Cl.

What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride?

The InChIKey is SFRSWMQQSHOIKP-YDALLXLXSA-N. The full InChI is InChI=1S/C17H25N3O5S.ClH/c1-12(11-18)19-17(21)13-4-6-20(7-5-13)26(22,23)14-2-3-15-16(10-14)25-9-8-24-15;/h2-3,10,12-13H,4-9,11,18H2,1H3,(H,19,21);1H/t12-;/m0./s1.

What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride?

N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-aminopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120509042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).