3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol

C15H25N3O3S — CID 133332233

IUPAC3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
SMILESCC(C)(CCO)CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C15H25N3O3S/c1-15(2,7-10-19)12-17-14-6-5-13(11-16-14)22(20,21)18-8-3-4-9-18/h5-6,11,19H,3-4,7-10,12H2,1-2H3,(H,16,17)
InChIKeyQKTHTNIMAMNBCS-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.69
Rot. Bonds7

About 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol

3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 133332233) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
PubChem CID133332233
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
SMILESCC(C)(CCO)CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C15H25N3O3S/c1-15(2,7-10-19)12-17-14-6-5-13(11-16-14)22(20,21)18-8-3-4-9-18/h5-6,11,19H,3-4,7-10,12H2,1-2H3,(H,16,17)
InChIKeyQKTHTNIMAMNBCS-UHFFFAOYSA-N
XLogP1.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133472179
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195727

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol (CID 133332233) is 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol is CC(C)(CCO)CNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is QKTHTNIMAMNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,7-10-19)12-17-14-6-5-13(11-16-14)22(20,21)18-8-3-4-9-18/h5-6,11,19H,3-4,7-10,12H2,1-2H3,(H,16,17).
What are the key properties of 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol?
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 327.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 133332233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).