(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone

C12H20N2O3S — CID 73440577

IUPAC(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
SMILESCC1CCCCN1C(=O)C1=CCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H20N2O3S/c1-10-5-3-4-7-14(10)12(15)11-6-8-13(9-11)18(2,16)17/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUPWQCGUXEBLNRU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.59
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone

(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone (PubChem CID 73440577) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
PubChem CID73440577
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
SMILESCC1CCCCN1C(=O)C1=CCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H20N2O3S/c1-10-5-3-4-7-14(10)12(15)11-6-8-13(9-11)18(2,16)17/h6,10H,3-5,7-9H2,1-2H3
InChIKeyUPWQCGUXEBLNRU-UHFFFAOYSA-N
XLogP0.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 8502455
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
[(2S)-2-methylpiperidin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 35522626
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
CID 130443193
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 65366871
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 51145477
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone (CID 73440577) is (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone is CC1CCCCN1C(=O)C1=CCN(S(C)(=O)=O)C1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The InChIKey is UPWQCGUXEBLNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-5-3-4-7-14(10)12(15)11-6-8-13(9-11)18(2,16)17/h6,10H,3-5,7-9H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
(2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone is sourced from PubChem (CID 73440577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).