1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone

C17H33N5O3S — CID 70863762

IUPAC1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCS(=O)(=O)N2CCN[C@@H](CN3CCCC3)C2)CC1
InChIInChI=1S/C17H33N5O3S/c1-16(23)21-10-8-19(9-11-21)12-13-26(24,25)22-7-4-18-17(15-22)14-20-5-2-3-6-20/h17-18H,2-15H2,1H3/t17-/m0/s1
InChIKeyWCFLTVFYICROFX-KRWDZBQOSA-N
MW387.55 g/mol
LogP-1.15
Rot. Bonds6

About 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone

1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone (PubChem CID 70863762) has the molecular formula C17H33N5O3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone
PubChem CID70863762
Molecular FormulaC17H33N5O3S
Molecular Weight387.55 g/mol
Exact Mass387.23
IUPAC Name1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCS(=O)(=O)N2CCN[C@@H](CN3CCCC3)C2)CC1
InChIInChI=1S/C17H33N5O3S/c1-16(23)21-10-8-19(9-11-21)12-13-26(24,25)22-7-4-18-17(15-22)14-20-5-2-3-6-20/h17-18H,2-15H2,1H3/t17-/m0/s1
InChIKeyWCFLTVFYICROFX-KRWDZBQOSA-N
XLogP-1.15
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 21336766
[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141128819
1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
CID 70162239
1-(2-pyrrolidin-1-ylethylsulfonyl)piperidine
CID 90877511
1-[3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]ethanone
CID 166860595
(3S)-1-[(4-methylsulfonylpiperazin-2-yl)methyl]pyrrolidin-3-ol
CID 139920755
4-[[(3R)-1-(2-pyrrolidin-1-ylethylsulfonyl)piperidin-3-yl]methyl]morpholine
CID 124624656
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
tert-butyl N-[2-[(2S)-4-[2-(4-acetylpiperazin-1-yl)ethylsulfonyl]-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-[4,5-dichloro-2-(trifluoromethyl)phenyl]carbamate
CID 70863767
1-(2-piperazin-1-ylethylsulfonyl)azepane
CID 54974083
methyl 6-(2-pyrrolidin-1-ylethylsulfonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 167783712
1-(2-piperazin-1-ylethylsulfonyl)pyrrolidine-3,4-diol
CID 106670197

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone (CID 70863762) is 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCS(=O)(=O)N2CCN[C@@H](CN3CCCC3)C2)CC1.
What is the InChIKey of 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone?
The InChIKey is WCFLTVFYICROFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H33N5O3S/c1-16(23)21-10-8-19(9-11-21)12-13-26(24,25)22-7-4-18-17(15-22)14-20-5-2-3-6-20/h17-18H,2-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone?
1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone has a molecular weight of 387.55 g/mol, XLogP of -1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3S)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]sulfonylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70863762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).