1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine

C11H23N3O2S — CID 54972040

IUPAC1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
SMILESCC1CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H23N3O2S/c1-11-3-2-6-14(11)17(15,16)10-9-13-7-4-12-5-8-13/h11-12H,2-10H2,1H3
InChIKeyYDXGIPSWMMYZLM-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.29
Rot. Bonds4

About 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine

1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine (PubChem CID 54972040) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
PubChem CID54972040
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine
SMILESCC1CCCN1S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C11H23N3O2S/c1-11-3-2-6-14(11)17(15,16)10-9-13-7-4-12-5-8-13/h11-12H,2-10H2,1H3
InChIKeyYDXGIPSWMMYZLM-UHFFFAOYSA-N
XLogP-0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
CID 62887804
3-methyl-4-(2-piperazin-1-ylethylsulfonyl)morpholine
CID 54972478
[3-methyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102782226
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
1-(3-chlorobutylsulfonyl)-2-methylpyrrolidine
CID 13468222
1-[2-(2,6-dimethylpiperidin-1-yl)ethyl]piperazine
CID 60851611
N,N-dimethyl-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-amine
CID 63542029
2-piperazin-1-ylethanesulfonamide
CID 54595802
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
CID 106670197
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine (CID 54972040) is 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine is CC1CCCN1S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine?
The InChIKey is YDXGIPSWMMYZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-11-3-2-6-14(11)17(15,16)10-9-13-7-4-12-5-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine?
1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine has a molecular weight of 261.39 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-1-yl)sulfonylethyl]piperazine is sourced from PubChem (CID 54972040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).