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

C12H20N2O3S — CID 73440576

IUPAC(3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
SMILESCC1CCCN(C(=O)C2=CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H20N2O3S/c1-10-4-3-6-13(8-10)12(15)11-5-7-14(9-11)18(2,16)17/h5,10H,3-4,6-9H2,1-2H3
InChIKeyFJFWZIVJCKAQMX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.45
Rot. Bonds2

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

(3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone (PubChem CID 73440576) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
PubChem CID73440576
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone
SMILESCC1CCCN(C(=O)C2=CCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C12H20N2O3S/c1-10-4-3-6-13(8-10)12(15)11-5-7-14(9-11)18(2,16)17/h5,10H,3-4,6-9H2,1-2H3
InChIKeyFJFWZIVJCKAQMX-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 109060483
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 8764270
4-(3-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65367626
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
[5-(azepan-1-ylsulfonyl)-1H-indol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 11718353
3-methylpiperidine-1-carboxylic acid
CID 22047728
[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 99969007
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
3-amino-5-(3-methylpiperidine-1-carbonyl)benzamide
CID 171662832

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone (CID 73440576) is (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone is CC1CCCN(C(=O)C2=CCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
The InChIKey is FJFWZIVJCKAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-4-3-6-13(8-10)12(15)11-5-7-14(9-11)18(2,16)17/h5,10H,3-4,6-9H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone?
(3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)methanone is sourced from PubChem (CID 73440576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).