3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride

C14H22ClN3O3S — CID 119412500

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(2)16-21(19,20)13-5-3-4-11(8-13)14(18)17-7-6-12(15)9-17;/h3-5,8,10,12,16H,6-7,9,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyRGXGCYKUROOMQP-UTONKHPSSA-N
MW347.87 g/mol
LogP0.97
Rot. Bonds4

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119412500) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119412500
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(2)16-21(19,20)13-5-3-4-11(8-13)14(18)17-7-6-12(15)9-17;/h3-5,8,10,12,16H,6-7,9,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyRGXGCYKUROOMQP-UTONKHPSSA-N
XLogP0.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(1-phenylethyl)benzenesulfonamide
CID 119485029
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119663964
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119412500) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride is CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is RGXGCYKUROOMQP-UTONKHPSSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10(2)16-21(19,20)13-5-3-4-11(8-13)14(18)17-7-6-12(15)9-17;/h3-5,8,10,12,16H,6-7,9,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119412500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).