[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C11H21N3O3S — CID 124694570

IUPAC[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@@H]2CCCN2)CCN1S(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-9-8-13(6-7-14(9)18(2,16)17)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyJTJLXLRAROGJAX-UWVGGRQHSA-N
MW275.37 g/mol
LogP-0.77
Rot. Bonds2

About [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 124694570) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID124694570
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESC[C@H]1CN(C(=O)[C@@H]2CCCN2)CCN1S(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-9-8-13(6-7-14(9)18(2,16)17)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyJTJLXLRAROGJAX-UWVGGRQHSA-N
XLogP-0.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901147
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945
2-[(3S)-3-methyl-4-methylsulfonylpiperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977509
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-(oxan-2-yl)methanone
CID 146075874
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 124694570) is [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is C[C@H]1CN(C(=O)[C@@H]2CCCN2)CCN1S(C)(=O)=O.
What is the InChIKey of [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is JTJLXLRAROGJAX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-9-8-13(6-7-14(9)18(2,16)17)11(15)10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 275.37 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 124694570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).