4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol

C15H23N3O3S — CID 8891405

IUPAC4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17)
InChIKeyDOPBYURTMYANRR-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.58
Rot. Bonds4

About 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 8891405) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID8891405
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17)
InChIKeyDOPBYURTMYANRR-UHFFFAOYSA-N
XLogP1.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
N,N-diisopropyl-6-(propylamino)-3-pyridinesulfonamide
CID 1741689
3-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 9280425
2-[(2-Methoxyethyl)amino]-5-(pyrrolidinylsulfonyl)pyridine
CID 2524141
N-pyridin-2-yl-4-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide
CID 45113030
6-morpholin-4-yl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 2738744
N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268211
N-ethyl-6-(4-hydroxypiperidin-1-yl)-N-phenylpyridine-3-sulfonamide
CID 9196102
N-pyridin-2-yl-4-[[(2S,3R,4R)-2,3,4,5-tetrahydroxypentylidene]amino]benzenesulfonamide
CID 45113031
N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 53151362
2-(Cyclohexylamino)pyridine-3-sulfonamide
CID 19378723
4-[(4-{[(2r,3r)-3-Hydroxybutan-2-Yl]amino}pyrimidin-2-Yl)amino]benzene-1-Sulfonamide
CID 118987243

Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol (CID 8891405) is 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol is O=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1.
What is the InChIKey of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is DOPBYURTMYANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17).
What are the key properties of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 325.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 8891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).