1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine

C22H28N4O4S — CID 26441291

IUPAC1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)CC1
InChIInChI=1S/C22H28N4O4S/c1-24-9-11-25(12-10-24)31(27,28)18-5-7-22(23-16-18)26-8-2-3-19(26)17-4-6-20-21(15-17)30-14-13-29-20/h4-7,15-16,19H,2-3,8-14H2,1H3/t19-/m1/s1
InChIKeyKPPDBNSUTWPQIR-LJQANCHMSA-N
MW444.56 g/mol
LogP2.13
Rot. Bonds4

About 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 26441291) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID26441291
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)CC1
InChIInChI=1S/C22H28N4O4S/c1-24-9-11-25(12-10-24)31(27,28)18-5-7-22(23-16-18)26-8-2-3-19(26)17-4-6-20-21(15-17)30-14-13-29-20/h4-7,15-16,19H,2-3,8-14H2,1H3/t19-/m1/s1
InChIKeyKPPDBNSUTWPQIR-LJQANCHMSA-N
XLogP2.13
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine with MolForge

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Related Compounds

6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816702
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone
CID 26044255
1-methyl-4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 86902816
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51886207
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122047555
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine
CID 95264819
4-[[6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 86902815
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-propylpyridine-3-carboxamide
CID 75463725
ethyl 6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 32799778
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 9110051

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 26441291) is 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)CC1.
What is the InChIKey of 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is KPPDBNSUTWPQIR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-24-9-11-25(12-10-24)31(27,28)18-5-7-22(23-16-18)26-8-2-3-19(26)17-4-6-20-21(15-17)30-14-13-29-20/h4-7,15-16,19H,2-3,8-14H2,1H3/t19-/m1/s1.
What are the key properties of 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 444.56 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 26441291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).