4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide

C18H30FN3O3S — CID 175575887

IUPAC4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCC(CC(C)(C)NCC(O)c2cncc(F)c2)CC1
InChIInChI=1S/C18H30FN3O3S/c1-18(2,22-12-17(23)14-8-15(19)11-21-10-14)9-13-4-6-16(7-5-13)26(24,25)20-3/h8,10-11,13,16-17,20,22-23H,4-7,9,12H2,1-3H3
InChIKeyIKLSIRWATVZBCS-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.12
Rot. Bonds8

About 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide

4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide (PubChem CID 175575887) has the molecular formula C18H30FN3O3S and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide
PubChem CID175575887
Molecular FormulaC18H30FN3O3S
Molecular Weight387.52 g/mol
Exact Mass387.20
IUPAC Name4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide
SMILESCNS(=O)(=O)C1CCC(CC(C)(C)NCC(O)c2cncc(F)c2)CC1
InChIInChI=1S/C18H30FN3O3S/c1-18(2,22-12-17(23)14-8-15(19)11-21-10-14)9-13-4-6-16(7-5-13)26(24,25)20-3/h8,10-11,13,16-17,20,22-23H,4-7,9,12H2,1-3H3
InChIKeyIKLSIRWATVZBCS-UHFFFAOYSA-N
XLogP2.12
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide with MolForge

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Related Compounds

1,1,1-trifluoro-N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexyl]methanesulfonamide;dihydrochloride
CID 175873884
N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexyl]-2-methylpropane-1-sulfonamide
CID 171784846
4-[2-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]cyclohexane-1-sulfonamide
CID 175575869
N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide
CID 171784861
2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
CID 175873903
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-propylcyclohexan-1-amine
CID 103778764
5-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]pyridin-3-ol;dihydrochloride
CID 138472967
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
1-(5-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
1-(5-fluoro-3-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 79065583

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide?
The IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide (CID 175575887) is 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide?
The canonical SMILES for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide is CNS(=O)(=O)C1CCC(CC(C)(C)NCC(O)c2cncc(F)c2)CC1.
What is the InChIKey of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide?
The InChIKey is IKLSIRWATVZBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN3O3S/c1-18(2,22-12-17(23)14-8-15(19)11-21-10-14)9-13-4-6-16(7-5-13)26(24,25)20-3/h8,10-11,13,16-17,20,22-23H,4-7,9,12H2,1-3H3.
What are the key properties of 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide?
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide has a molecular weight of 387.52 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]-N-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 175575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).