4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide

C15H25N3O2S — CID 82902010

IUPAC4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)C1CCCN1c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2S/c1-11(2)14-6-5-9-18(14)15-10-12(7-8-13(15)16)21(19,20)17(3)4/h7-8,10-11,14H,5-6,9,16H2,1-4H3
InChIKeyJOYFUMCALIDANX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide

4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide (PubChem CID 82902010) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
PubChem CID82902010
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
SMILESCC(C)C1CCCN1c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2S/c1-11(2)14-6-5-9-18(14)15-10-12(7-8-13(15)16)21(19,20)17(3)4/h7-8,10-11,14H,5-6,9,16H2,1-4H3
InChIKeyJOYFUMCALIDANX-UHFFFAOYSA-N
XLogP2.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide (CID 82902010) is 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide is CC(C)C1CCCN1c1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is JOYFUMCALIDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)14-6-5-9-18(14)15-10-12(7-8-13(15)16)21(19,20)17(3)4/h7-8,10-11,14H,5-6,9,16H2,1-4H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 82902010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).