[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol

C19H24ClNO3S — CID 46984645

IUPAC[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(Cc1ccc(Sc2ccc(Cl)cc2)o1)CC1(CO)CCOCC1
InChIInChI=1S/C19H24ClNO3S/c1-21(13-19(14-22)8-10-23-11-9-19)12-16-4-7-18(24-16)25-17-5-2-15(20)3-6-17/h2-7,22H,8-14H2,1H3
InChIKeyZEYJPIRYTAQAAO-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.31
Rot. Bonds7

About [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol

[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol (PubChem CID 46984645) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol
PubChem CID46984645
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC Name[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol
SMILESCN(Cc1ccc(Sc2ccc(Cl)cc2)o1)CC1(CO)CCOCC1
InChIInChI=1S/C19H24ClNO3S/c1-21(13-19(14-22)8-10-23-11-9-19)12-16-4-7-18(24-16)25-17-5-2-15(20)3-6-17/h2-7,22H,8-14H2,1H3
InChIKeyZEYJPIRYTAQAAO-UHFFFAOYSA-N
XLogP4.31
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol (CID 46984645) is [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol is CN(Cc1ccc(Sc2ccc(Cl)cc2)o1)CC1(CO)CCOCC1.
What is the InChIKey of [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol?
The InChIKey is ZEYJPIRYTAQAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c1-21(13-19(14-22)8-10-23-11-9-19)12-16-4-7-18(24-16)25-17-5-2-15(20)3-6-17/h2-7,22H,8-14H2,1H3.
What are the key properties of [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol?
[4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol has a molecular weight of 381.93 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 46984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).