4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide

C13H21N3O2S — CID 62067887

IUPAC4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-5-3-12(4-6-13)16-8-7-11(14)9-16/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyVLEWFCBMVLYKNQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.91
Rot. Bonds4

About 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide

4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 62067887) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID62067887
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCC(N)C2)cc1
InChIInChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-5-3-12(4-6-13)16-8-7-11(14)9-16/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyVLEWFCBMVLYKNQ-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 115313378
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 62067887) is 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N2CCC(N)C2)cc1.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VLEWFCBMVLYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(2)15-19(17,18)13-5-3-12(4-6-13)16-8-7-11(14)9-16/h3-6,10-11,15H,7-9,14H2,1-2H3.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 62067887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).