(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone

C11H15N3O3S — CID 123879971

IUPAC(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(N)C2)nc1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)9-2-3-10(13-6-9)11(15)14-5-4-8(12)7-14/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyHSPMPOJAWRIHOY-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.34
Rot. Bonds2

About (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone

(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone (PubChem CID 123879971) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
PubChem CID123879971
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(N)C2)nc1
InChIInChI=1S/C11H15N3O3S/c1-18(16,17)9-2-3-10(13-6-9)11(15)14-5-4-8(12)7-14/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyHSPMPOJAWRIHOY-UHFFFAOYSA-N
XLogP-0.34
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylsulfonylphenyl) (3R)-3-aminopyrrolidine-1-carboxylate
CID 142325530
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
[(3S)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 124574517
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
CID 170767103

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone (CID 123879971) is (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone is CS(=O)(=O)c1ccc(C(=O)N2CCC(N)C2)nc1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
The InChIKey is HSPMPOJAWRIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-18(16,17)9-2-3-10(13-6-9)11(15)14-5-4-8(12)7-14/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone?
(3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone has a molecular weight of 269.33 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(5-methylsulfonyl-2-pyridinyl)methanone is sourced from PubChem (CID 123879971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).