5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol

C15H24N2O3S — CID 66053371

IUPAC5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(O)CC2CN(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-5-12(2)7-15(6-11)21(19,20)17-10-14(18)8-13(17)9-16(3)4/h5-7,13-14,18H,8-10H2,1-4H3
InChIKeyWKEMRDMOMMAHRK-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.99
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66053371) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID66053371
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(O)CC2CN(C)C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-5-12(2)7-15(6-11)21(19,20)17-10-14(18)8-13(17)9-16(3)4/h5-7,13-14,18H,8-10H2,1-4H3
InChIKeyWKEMRDMOMMAHRK-UHFFFAOYSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052371
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053365
1-(2-amino-4-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056980
1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051432
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820
5-[(dimethylamino)methyl]-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-ol
CID 66052749
1-(4-chloro-2-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054137
1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66057372
1-[3-(aminomethyl)phenyl]sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056012
1-(4-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056572
1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-(5-amino-2-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056778

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol (CID 66053371) is 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol is Cc1cc(C)cc(S(=O)(=O)N2CC(O)CC2CN(C)C)c1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is WKEMRDMOMMAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-5-12(2)7-15(6-11)21(19,20)17-10-14(18)8-13(17)9-16(3)4/h5-7,13-14,18H,8-10H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 312.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66053371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).