(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine

C15H19F2N3O2S — CID 97160059

IUPAC(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@H]2CN(Cc3ccc(CSC(F)F)o3)CCO2)cn1
InChIInChI=1S/C15H19F2N3O2S/c1-19-7-11(6-18-19)14-9-20(4-5-21-14)8-12-2-3-13(22-12)10-23-15(16)17/h2-3,6-7,14-15H,4-5,8-10H2,1H3/t14-/m0/s1
InChIKeyRSZFIADLIXUGIX-AWEZNQCLSA-N
MW343.40 g/mol
LogP3.04
Rot. Bonds6

About (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine

(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 97160059) has the molecular formula C15H19F2N3O2S and a molecular weight of 343.40 g/mol. Its IUPAC name is (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID97160059
Molecular FormulaC15H19F2N3O2S
Molecular Weight343.40 g/mol
Exact Mass343.12
IUPAC Name(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc([C@@H]2CN(Cc3ccc(CSC(F)F)o3)CCO2)cn1
InChIInChI=1S/C15H19F2N3O2S/c1-19-7-11(6-18-19)14-9-20(4-5-21-14)8-12-2-3-13(22-12)10-23-15(16)17/h2-3,6-7,14-15H,4-5,8-10H2,1H3/t14-/m0/s1
InChIKeyRSZFIADLIXUGIX-AWEZNQCLSA-N
XLogP3.04
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine (CID 97160059) is (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc([C@@H]2CN(Cc3ccc(CSC(F)F)o3)CCO2)cn1.
What is the InChIKey of (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is RSZFIADLIXUGIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19F2N3O2S/c1-19-7-11(6-18-19)14-9-20(4-5-21-14)8-12-2-3-13(22-12)10-23-15(16)17/h2-3,6-7,14-15H,4-5,8-10H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine?
(2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 343.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 97160059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).