2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol

C17H28N4O3S — CID 133281384

IUPAC2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(NCC2CCN(CCO)CC2)nc1)N1CCCC1
InChIInChI=1S/C17H28N4O3S/c22-12-11-20-9-5-15(6-10-20)13-18-17-4-3-16(14-19-17)25(23,24)21-7-1-2-8-21/h3-4,14-15,22H,1-2,5-13H2,(H,18,19)
InChIKeyVGXBLFDBQLNNLP-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.98
Rot. Bonds7

About 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol

2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 133281384) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID133281384
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(NCC2CCN(CCO)CC2)nc1)N1CCCC1
InChIInChI=1S/C17H28N4O3S/c22-12-11-20-9-5-15(6-10-20)13-18-17-4-3-16(14-19-17)25(23,24)21-7-1-2-8-21/h3-4,14-15,22H,1-2,5-13H2,(H,18,19)
InChIKeyVGXBLFDBQLNNLP-UHFFFAOYSA-N
XLogP0.98
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[(6-hydrazinyl-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107223463
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
3,3-dimethyl-4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 133332233
N-[(1-methylpiperidin-3-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133430518
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133315978
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol (CID 133281384) is 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol is O=S(=O)(c1ccc(NCC2CCN(CCO)CC2)nc1)N1CCCC1.
What is the InChIKey of 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is VGXBLFDBQLNNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c22-12-11-20-9-5-15(6-10-20)13-18-17-4-3-16(14-19-17)25(23,24)21-7-1-2-8-21/h3-4,14-15,22H,1-2,5-13H2,(H,18,19).
What are the key properties of 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 368.50 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 133281384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).