4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

C14H19N3O3S — CID 119411623

IUPAC4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESN[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C14H19N3O3S/c15-11-7-8-17(9-11)14(18)10-1-5-13(6-2-10)21(19,20)16-12-3-4-12/h1-2,5-6,11-12,16H,3-4,7-9,15H2/t11-/m1/s1
InChIKeyVFQBJSINDYFGDJ-LLVKDONJSA-N
MW309.39 g/mol
LogP0.30
Rot. Bonds4

About 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 119411623) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
PubChem CID119411623
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
SMILESN[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
InChIInChI=1S/C14H19N3O3S/c15-11-7-8-17(9-11)14(18)10-1-5-13(6-2-10)21(19,20)16-12-3-4-12/h1-2,5-6,11-12,16H,3-4,7-9,15H2/t11-/m1/s1
InChIKeyVFQBJSINDYFGDJ-LLVKDONJSA-N
XLogP0.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopiperidine-1-carbonyl)-N-cyclopropylbenzenesulfonamide
CID 119379774
[(3S)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 124574517
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 120659862
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-[2-(aminomethyl)-4-methylpiperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 167745067
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
N-cyclopropyl-4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carbonyl]benzenesulfonamide
CID 38935844

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide (CID 119411623) is 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is N[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is VFQBJSINDYFGDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-11-7-8-17(9-11)14(18)10-1-5-13(6-2-10)21(19,20)16-12-3-4-12/h1-2,5-6,11-12,16H,3-4,7-9,15H2/t11-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide?
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 119411623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).