N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide

C15H21FN2O3S — CID 110720940

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C15H21FN2O3S/c16-14-5-3-4-13(12-14)6-7-15(19)17-8-10-18-9-1-2-11-22(18,20)21/h3-5,12H,1-2,6-11H2,(H,17,19)
InChIKeyPDJRSOPRSXDMGM-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide (PubChem CID 110720940) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
PubChem CID110720940
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCN1CCCCS1(=O)=O
InChIInChI=1S/C15H21FN2O3S/c16-14-5-3-4-13(12-14)6-7-15(19)17-8-10-18-9-1-2-11-22(18,20)21/h3-5,12H,1-2,6-11H2,(H,17,19)
InChIKeyPDJRSOPRSXDMGM-UHFFFAOYSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933
3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110687859
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-(3-fluorophenyl)propanamide
CID 43048068
N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110669263
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
3-(benzenesulfonamido)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]propanamide
CID 49068329

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide (CID 110720940) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)NCCN1CCCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is PDJRSOPRSXDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-14-5-3-4-13(12-14)6-7-15(19)17-8-10-18-9-1-2-11-22(18,20)21/h3-5,12H,1-2,6-11H2,(H,17,19).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110720940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).