[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

C15H24N6O3S — CID 125179745

IUPAC[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H24N6O3S/c16-25(23,24)12-13-2-5-21(10-13)14(22)11-19-6-8-20(9-7-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H2,16,23,24)/t13-/m0/s1
InChIKeyYJUNFTPHMBLQOT-ZDUSSCGKSA-N
MW368.46 g/mol
LogP-1.26
Rot. Bonds5

About [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide

[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125179745) has the molecular formula C15H24N6O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID125179745
Molecular FormulaC15H24N6O3S
Molecular Weight368.46 g/mol
Exact Mass368.16
IUPAC Name[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)C[C@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C15H24N6O3S/c16-25(23,24)12-13-2-5-21(10-13)14(22)11-19-6-8-20(9-7-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H2,16,23,24)/t13-/m0/s1
InChIKeyYJUNFTPHMBLQOT-ZDUSSCGKSA-N
XLogP-1.26
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 72933941
1-[(3S)-3-phenoxypyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 125158129
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
1-(4-aminopiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 39311838
[(3R)-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 125161073
[(3R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 124847487
(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 40693545
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 26570212
[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118767416

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide (CID 125179745) is [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)C[C@H]1CCN(C(=O)CN2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is YJUNFTPHMBLQOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N6O3S/c16-25(23,24)12-13-2-5-21(10-13)14(22)11-19-6-8-20(9-7-19)15-17-3-1-4-18-15/h1,3-4,13H,2,5-12H2,(H2,16,23,24)/t13-/m0/s1.
What are the key properties of [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide?
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of -1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125179745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).