1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine

C20H27N5O2S — CID 133301487

IUPAC1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC(Nc4ccccc4)C3)nc2)CC1
InChIInChI=1S/C20H27N5O2S/c1-23-11-13-25(14-12-23)28(26,27)19-7-8-20(21-15-19)24-10-9-18(16-24)22-17-5-3-2-4-6-17/h2-8,15,18,22H,9-14,16H2,1H3
InChIKeyVGQPKJBUZQNGAE-UHFFFAOYSA-N
MW401.54 g/mol
LogP1.71
Rot. Bonds5

About 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine

1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine (PubChem CID 133301487) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
PubChem CID133301487
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC(Nc4ccccc4)C3)nc2)CC1
InChIInChI=1S/C20H27N5O2S/c1-23-11-13-25(14-12-23)28(26,27)19-7-8-20(21-15-19)24-10-9-18(16-24)22-17-5-3-2-4-6-17/h2-8,15,18,22H,9-14,16H2,1H3
InChIKeyVGQPKJBUZQNGAE-UHFFFAOYSA-N
XLogP1.71
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
1-methyl-4-[[6-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 2997914
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
CID 55511360
N-phenyl-1-pyrazin-2-ylpyrrolidin-3-amine
CID 133301489
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
1-methyl-4-[[6-[2-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 133406857

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine (CID 133301487) is 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine is CN1CCN(S(=O)(=O)c2ccc(N3CCC(Nc4ccccc4)C3)nc2)CC1.
What is the InChIKey of 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine?
The InChIKey is VGQPKJBUZQNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-23-11-13-25(14-12-23)28(26,27)19-7-8-20(21-15-19)24-10-9-18(16-24)22-17-5-3-2-4-6-17/h2-8,15,18,22H,9-14,16H2,1H3.
What are the key properties of 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine?
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine has a molecular weight of 401.54 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 133301487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).