N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide

C17H28FN3O3S — CID 171784861

IUPACN-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide
SMILESCC(C)(NC[C@H](O)c1cncc(F)c1)C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C17H28FN3O3S/c1-17(2,13-4-6-15(7-5-13)21-25(3,23)24)20-11-16(22)12-8-14(18)10-19-9-12/h8-10,13,15-16,20-22H,4-7,11H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyGZKCSPFSDMXFAK-BCLQGDPASA-N
MW373.49 g/mol
LogP1.73
Rot. Bonds7

About N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide

N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide (PubChem CID 171784861) has the molecular formula C17H28FN3O3S and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide
PubChem CID171784861
Molecular FormulaC17H28FN3O3S
Molecular Weight373.49 g/mol
Exact Mass373.18
IUPAC NameN-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide
SMILESCC(C)(NC[C@H](O)c1cncc(F)c1)C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C17H28FN3O3S/c1-17(2,13-4-6-15(7-5-13)21-25(3,23)24)20-11-16(22)12-8-14(18)10-19-9-12/h8-10,13,15-16,20-22H,4-7,11H2,1-3H3/t13?,15?,16-/m0/s1
InChIKeyGZKCSPFSDMXFAK-BCLQGDPASA-N
XLogP1.73
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide (CID 171784861) is N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide is CC(C)(NC[C@H](O)c1cncc(F)c1)C1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide?
The InChIKey is GZKCSPFSDMXFAK-BCLQGDPASA-N. The full InChI is InChI=1S/C17H28FN3O3S/c1-17(2,13-4-6-15(7-5-13)21-25(3,23)24)20-11-16(22)12-8-14(18)10-19-9-12/h8-10,13,15-16,20-22H,4-7,11H2,1-3H3/t13?,15?,16-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide?
N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide has a molecular weight of 373.49 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]propan-2-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 171784861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).