4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide

C13H20N2O3S — CID 104892759

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)14-19(17,18)13-5-3-11(4-6-13)15-8-7-12(16)9-15/h3-6,10,12,14,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyPBTCACACDMJSRH-GFCCVEGCSA-N
MW284.38 g/mol
LogP0.94
Rot. Bonds4

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide

4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 104892759) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID104892759
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)14-19(17,18)13-5-3-11(4-6-13)15-8-7-12(16)9-15/h3-6,10,12,14,16H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyPBTCACACDMJSRH-GFCCVEGCSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 62067887
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 104892809
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 115313378
N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
CID 114680950
1-phenylpyrrolidin-3-ol
CID 11171152
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide (CID 104892759) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H](O)C2)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PBTCACACDMJSRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)14-19(17,18)13-5-3-11(4-6-13)15-8-7-12(16)9-15/h3-6,10,12,14,16H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 104892759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).