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

C10H15N3O4S2 — CID 94340343

IUPAC3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
SMILESN[C@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C10H15N3O4S2/c11-8-4-5-13(7-8)19(16,17)10-3-1-2-9(6-10)18(12,14)15/h1-3,6,8H,4-5,7,11H2,(H2,12,14,15)/t8-/m0/s1
InChIKeyBNBHJVHNCDONRP-QMMMGPOBSA-N
MW305.38 g/mol
LogP-0.94
Rot. Bonds3

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

3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 94340343) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID94340343
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide
SMILESN[C@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C10H15N3O4S2/c11-8-4-5-13(7-8)19(16,17)10-3-1-2-9(6-10)18(12,14)15/h1-3,6,8H,4-5,7,11H2,(H2,12,14,15)/t8-/m0/s1
InChIKeyBNBHJVHNCDONRP-QMMMGPOBSA-N
XLogP-0.94
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 75431046
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119993572
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide (CID 94340343) is 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide is N[C@H]1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is BNBHJVHNCDONRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c11-8-4-5-13(7-8)19(16,17)10-3-1-2-9(6-10)18(12,14)15/h1-3,6,8H,4-5,7,11H2,(H2,12,14,15)/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide?
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 94340343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).