1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C14H23N3O3S — CID 66055590

IUPAC1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-5-4-6-13(15)14(10)21(19,20)17-9-12(18)7-11(17)8-16(2)3/h4-6,11-12,18H,7-9,15H2,1-3H3
InChIKeyDSLMTNVJGXZKQR-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.26
Rot. Bonds4

About 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66055590) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66055590
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cccc(N)c1S(=O)(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H23N3O3S/c1-10-5-4-6-13(15)14(10)21(19,20)17-9-12(18)7-11(17)8-16(2)3/h4-6,11-12,18H,7-9,15H2,1-3H3
InChIKeyDSLMTNVJGXZKQR-UHFFFAOYSA-N
XLogP0.26
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66055590) is 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is Cc1cccc(N)c1S(=O)(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is DSLMTNVJGXZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10-5-4-6-13(15)14(10)21(19,20)17-9-12(18)7-11(17)8-16(2)3/h4-6,11-12,18H,7-9,15H2,1-3H3.
What are the key properties of 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 313.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66055590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).