1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol

C19H25N3O3S — CID 133400176

IUPAC1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
SMILESCC(Nc1ccc(S(=O)(=O)N2CCCC2)cn1)C(O)Cc1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-15(18(23)13-16-7-3-2-4-8-16)21-19-10-9-17(14-20-19)26(24,25)22-11-5-6-12-22/h2-4,7-10,14-15,18,23H,5-6,11-13H2,1H3,(H,20,21)
InChIKeyXYQCYTUFNAORBY-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.27
Rot. Bonds7

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

1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol (PubChem CID 133400176) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
PubChem CID133400176
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol
SMILESCC(Nc1ccc(S(=O)(=O)N2CCCC2)cn1)C(O)Cc1ccccc1
InChIInChI=1S/C19H25N3O3S/c1-15(18(23)13-16-7-3-2-4-8-16)21-19-10-9-17(14-20-19)26(24,25)22-11-5-6-12-22/h2-4,7-10,14-15,18,23H,5-6,11-13H2,1H3,(H,20,21)
InChIKeyXYQCYTUFNAORBY-UHFFFAOYSA-N
XLogP2.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
(2S)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122050256
(2R)-4-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]pentanoic acid
CID 122049069
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580113
N-[1-(4-propan-2-ylsulfanylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133287490

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol (CID 133400176) is 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol is CC(Nc1ccc(S(=O)(=O)N2CCCC2)cn1)C(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol?
The InChIKey is XYQCYTUFNAORBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15(18(23)13-16-7-3-2-4-8-16)21-19-10-9-17(14-20-19)26(24,25)22-11-5-6-12-22/h2-4,7-10,14-15,18,23H,5-6,11-13H2,1H3,(H,20,21).
What are the key properties of 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol?
1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol has a molecular weight of 375.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 133400176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).