1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine

C16H26N4O2S — CID 171907754

IUPAC1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cccc(CCN2CCN(S(=O)(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H26N4O2S/c1-15-5-4-6-16(17-15)7-10-18-11-13-20(14-12-18)23(21,22)19-8-2-3-9-19/h4-6H,2-3,7-14H2,1H3
InChIKeyHCQWVAYXKUWNMN-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine

1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine (PubChem CID 171907754) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
PubChem CID171907754
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
SMILESCc1cccc(CCN2CCN(S(=O)(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C16H26N4O2S/c1-15-5-4-6-16(17-15)7-10-18-11-13-20(14-12-18)23(21,22)19-8-2-3-9-19/h4-6H,2-3,7-14H2,1H3
InChIKeyHCQWVAYXKUWNMN-UHFFFAOYSA-N
XLogP0.89
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[[(3R)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methyl]pyridine
CID 125004087
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 171334066
1-[2-(6-methyl-2-pyridinyl)ethyl]azetidin-3-amine
CID 130815160
2-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidin-4-yl]-2-oxo-N-phenylethanesulfonamide
CID 18789891
1-[(6-methyl-2-pyridinyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane
CID 74227072
1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
2-[2-(6-methyl-2-pyridinyl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72921157
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
CID 91779783
(1S)-1-[5-[2-(6-methyl-2-pyridinyl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99975863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The IUPAC name of 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine (CID 171907754) is 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The canonical SMILES for 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine is Cc1cccc(CCN2CCN(S(=O)(=O)N3CCCC3)CC2)n1.
What is the InChIKey of 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
The InChIKey is HCQWVAYXKUWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-15-5-4-6-16(17-15)7-10-18-11-13-20(14-12-18)23(21,22)19-8-2-3-9-19/h4-6H,2-3,7-14H2,1H3.
What are the key properties of 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine?
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine has a molecular weight of 338.48 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 171907754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).