2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate

C16H20FNO2S — CID 15550049

IUPAC2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(C2=CCSCC2)c(F)c1
InChIInChI=1S/C16H20FNO2S/c1-11(2)10-20-16(19)18-13-3-4-14(15(17)9-13)12-5-7-21-8-6-12/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19)
InChIKeyRVGUBBSEUVHGNN-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.55
Rot. Bonds4

About 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate

2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate (PubChem CID 15550049) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate
PubChem CID15550049
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(C2=CCSCC2)c(F)c1
InChIInChI=1S/C16H20FNO2S/c1-11(2)10-20-16(19)18-13-3-4-14(15(17)9-13)12-5-7-21-8-6-12/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19)
InChIKeyRVGUBBSEUVHGNN-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate (CID 15550049) is 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate is CC(C)COC(=O)Nc1ccc(C2=CCSCC2)c(F)c1.
What is the InChIKey of 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate?
The InChIKey is RVGUBBSEUVHGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-11(2)10-20-16(19)18-13-3-4-14(15(17)9-13)12-5-7-21-8-6-12/h3-5,9,11H,6-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate?
2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(3,6-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]carbamate is sourced from PubChem (CID 15550049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).