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

C15H24ClN3O3S — CID 119411388

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(2)17(3)22(20,21)14-6-4-5-12(9-14)15(19)18-8-7-13(16)10-18;/h4-6,9,11,13H,7-8,10,16H2,1-3H3;1H/t13-;/m1./s1
InChIKeyYYDXMHMYUVCPRN-BTQNPOSSSA-N
MW361.90 g/mol
LogP1.31
Rot. Bonds4

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

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119411388) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119411388
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11(2)17(3)22(20,21)14-6-4-5-12(9-14)15(19)18-8-7-13(16)10-18;/h4-6,9,11,13H,7-8,10,16H2,1-3H3;1H/t13-;/m1./s1
InChIKeyYYDXMHMYUVCPRN-BTQNPOSSSA-N
XLogP1.31
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119412500
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
N-methyl-3-(3-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119578603
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119411388) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N)C2)c1.Cl.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is YYDXMHMYUVCPRN-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11(2)17(3)22(20,21)14-6-4-5-12(9-14)15(19)18-8-7-13(16)10-18;/h4-6,9,11,13H,7-8,10,16H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119411388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).