N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H18F2N2O3S — CID 124618033

IUPACN-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC=C(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3S/c1-10(2)14(11-3-4-12(16)13(17)9-11)18-15(20)19-5-7-23(21,22)8-6-19/h3-4,9,14H,1,5-8H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyPGFTYCWVOOYZGL-AWEZNQCLSA-N
MW344.38 g/mol
LogP2.02
Rot. Bonds3

About N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 124618033) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID124618033
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC NameN-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESC=C(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3S/c1-10(2)14(11-3-4-12(16)13(17)9-11)18-15(20)19-5-7-23(21,22)8-6-19/h3-4,9,14H,1,5-8H2,2H3,(H,18,20)/t14-/m0/s1
InChIKeyPGFTYCWVOOYZGL-AWEZNQCLSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 124618033) is N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is C=C(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is PGFTYCWVOOYZGL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c1-10(2)14(11-3-4-12(16)13(17)9-11)18-15(20)19-5-7-23(21,22)8-6-19/h3-4,9,14H,1,5-8H2,2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 124618033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).