N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H19FN2O3S2 — CID 56826102

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NCCSCc1ccccc1F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19FN2O3S2/c15-13-4-2-1-3-12(13)11-21-8-5-16-14(18)17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18)
InChIKeyKWHIDRWVCNMBLO-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.50
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 56826102) has the molecular formula C14H19FN2O3S2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID56826102
Molecular FormulaC14H19FN2O3S2
Molecular Weight346.45 g/mol
Exact Mass346.08
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(NCCSCc1ccccc1F)N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19FN2O3S2/c15-13-4-2-1-3-12(13)11-21-8-5-16-14(18)17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18)
InChIKeyKWHIDRWVCNMBLO-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N4-(2-[[3-(trifluoromethyl)benzyl]thio]ethyl)thiomorpholine-4-carboxamide
CID 609524
3-[(2-fluorobenzyl)sulfonyl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 3238643
3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 20968435
1-[(1,1-Dioxothiolan-3-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 45810763
(4aS*,7aR*)-N-[2-(4-fluorophenyl)ethyl]-4-methylhexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70727326
N-(tert-butyl)-4-(((2,5-difluorophenyl)methylsulfonamido)methyl)piperidine-1-carboxamide
CID 71796758
1-(2-Tert-butylsulfonylethyl)-3-[3-(3-fluorophenyl)propyl]urea
CID 72015169
3-[2-(2,3-Difluorophenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136391
3-[2-(2,3-Difluorophenyl)ethyl]-1-(1-ethylsulfonylpropan-2-yl)-1-methylurea
CID 84583970
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 126458956
4-(methylsulfonyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 71805735
1,1-dioxo-N-(3-phenylcyclobutyl)-1,4-thiazinane-4-carboxamide
CID 56826172

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 56826102) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(NCCSCc1ccccc1F)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is KWHIDRWVCNMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S2/c15-13-4-2-1-3-12(13)11-21-8-5-16-14(18)17-6-9-22(19,20)10-7-17/h1-4H,5-11H2,(H,16,18).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 56826102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).