2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol

C18H29N3O3S — CID 133384817

IUPAC2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NCCCC2CCCCC2O)nc1)N1CCCC1
InChIInChI=1S/C18H29N3O3S/c22-17-8-2-1-6-15(17)7-5-11-19-18-10-9-16(14-20-18)25(23,24)21-12-3-4-13-21/h9-10,14-15,17,22H,1-8,11-13H2,(H,19,20)
InChIKeyAEIUXOHUGGETOO-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.61
Rot. Bonds7

About 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol

2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol (PubChem CID 133384817) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
PubChem CID133384817
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NCCCC2CCCCC2O)nc1)N1CCCC1
InChIInChI=1S/C18H29N3O3S/c22-17-8-2-1-6-15(17)7-5-11-19-18-10-9-16(14-20-18)25(23,24)21-12-3-4-13-21/h9-10,14-15,17,22H,1-8,11-13H2,(H,19,20)
InChIKeyAEIUXOHUGGETOO-UHFFFAOYSA-N
XLogP2.61
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
2-[4-[[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133281384
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
CID 133421323
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol (CID 133384817) is 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol is O=S(=O)(c1ccc(NCCCC2CCCCC2O)nc1)N1CCCC1.
What is the InChIKey of 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol?
The InChIKey is AEIUXOHUGGETOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c22-17-8-2-1-6-15(17)7-5-11-19-18-10-9-16(14-20-18)25(23,24)21-12-3-4-13-21/h9-10,14-15,17,22H,1-8,11-13H2,(H,19,20).
What are the key properties of 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol?
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol has a molecular weight of 367.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol is sourced from PubChem (CID 133384817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).