3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide

C11H15N3O3S — CID 75431046

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1
InChIInChI=1S/C11H15N3O3S/c12-9-4-5-14(7-9)18(16,17)10-3-1-2-8(6-10)11(13)15/h1-3,6,9H,4-5,7,12H2,(H2,13,15)/t9-/m0/s1
InChIKeyMTKOBKNVEFJRQM-VIFPVBQESA-N
MW269.33 g/mol
LogP-0.49
Rot. Bonds3

About 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide

3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide (PubChem CID 75431046) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
PubChem CID75431046
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
SMILESNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1
InChIInChI=1S/C11H15N3O3S/c12-9-4-5-14(7-9)18(16,17)10-3-1-2-8(6-10)11(13)15/h1-3,6,9H,4-5,7,12H2,(H2,13,15)/t9-/m0/s1
InChIKeyMTKOBKNVEFJRQM-VIFPVBQESA-N
XLogP-0.49
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 94340343
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
3-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbenzamide
CID 119990219
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
CID 119959947
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119993572
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
methyl 3-(3-aminoazetidin-1-yl)sulfonylbenzoate
CID 65245121

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide (CID 75431046) is 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide is NC(=O)c1cccc(S(=O)(=O)N2CC[C@H](N)C2)c1.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide?
The InChIKey is MTKOBKNVEFJRQM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-9-4-5-14(7-9)18(16,17)10-3-1-2-8(6-10)11(13)15/h1-3,6,9H,4-5,7,12H2,(H2,13,15)/t9-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide?
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide has a molecular weight of 269.33 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 75431046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).