(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone

C12H17N3O3S — CID 123523269

IUPAC(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cn1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3
InChIKeyKHHPHGCDYKVXEI-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.05
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone

(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone (PubChem CID 123523269) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
PubChem CID123523269
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cn1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3
InChIKeyKHHPHGCDYKVXEI-UHFFFAOYSA-N
XLogP0.05
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone (CID 123523269) is (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCCC(N)C2)cn1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone?
The InChIKey is KHHPHGCDYKVXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone?
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone has a molecular weight of 283.35 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone is sourced from PubChem (CID 123523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).