(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine

C19H26FN3O3S — CID 25274548

IUPAC(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCC(C)S(=O)(=O)c1ncc(CN(C)[C@H]2CCOC2)n1Cc1ccccc1F
InChIInChI=1S/C19H26FN3O3S/c1-14(2)27(24,25)19-21-10-17(12-22(3)16-8-9-26-13-16)23(19)11-15-6-4-5-7-18(15)20/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyPNBMOSJOIYOOIS-INIZCTEOSA-N
MW395.50 g/mol
LogP2.47
Rot. Bonds7

About (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine

(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 25274548) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine
PubChem CID25274548
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC Name(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine
SMILESCC(C)S(=O)(=O)c1ncc(CN(C)[C@H]2CCOC2)n1Cc1ccccc1F
InChIInChI=1S/C19H26FN3O3S/c1-14(2)27(24,25)19-21-10-17(12-22(3)16-8-9-26-13-16)23(19)11-15-6-4-5-7-18(15)20/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t16-/m0/s1
InChIKeyPNBMOSJOIYOOIS-INIZCTEOSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine (CID 25274548) is (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine is CC(C)S(=O)(=O)c1ncc(CN(C)[C@H]2CCOC2)n1Cc1ccccc1F.
What is the InChIKey of (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is PNBMOSJOIYOOIS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-14(2)27(24,25)19-21-10-17(12-22(3)16-8-9-26-13-16)23(19)11-15-6-4-5-7-18(15)20/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine?
(3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 395.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 25274548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).