1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine

C19H31N5O2S — CID 133292793

IUPAC1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
SMILESCCN1CCN(C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)CC1
InChIInChI=1S/C19H31N5O2S/c1-2-21-11-13-22(14-12-21)17-7-10-23(16-17)19-6-5-18(15-20-19)27(25,26)24-8-3-4-9-24/h5-6,15,17H,2-4,7-14,16H2,1H3
InChIKeyKTDAAQQSVIINBH-UHFFFAOYSA-N
MW393.56 g/mol
LogP1.08
Rot. Bonds5

About 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine

1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine (PubChem CID 133292793) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
PubChem CID133292793
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC Name1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
SMILESCCN1CCN(C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)CC1
InChIInChI=1S/C19H31N5O2S/c1-2-21-11-13-22(14-12-21)17-7-10-23(16-17)19-6-5-18(15-20-19)27(25,26)24-8-3-4-9-24/h5-6,15,17H,2-4,7-14,16H2,1H3
InChIKeyKTDAAQQSVIINBH-UHFFFAOYSA-N
XLogP1.08
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133341841
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-pentan-3-ylpyridine-3-sulfonamide
CID 133305726
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677
5-pyrrolidin-1-ylsulfonyl-2-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine
CID 75448694
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine (CID 133292793) is 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine is CCN1CCN(C2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C2)CC1.
What is the InChIKey of 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine?
The InChIKey is KTDAAQQSVIINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-2-21-11-13-22(14-12-21)17-7-10-23(16-17)19-6-5-18(15-20-19)27(25,26)24-8-3-4-9-24/h5-6,15,17H,2-4,7-14,16H2,1H3.
What are the key properties of 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine?
1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine has a molecular weight of 393.56 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 133292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).