N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide

C13H17FN2O3S — CID 110720894

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCCCS1(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-12-5-3-11(4-6-12)13(17)15-7-9-16-8-1-2-10-20(16,18)19/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyNOOVCTJAQRUKIP-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide (PubChem CID 110720894) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
PubChem CID110720894
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCCCS1(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O3S/c14-12-5-3-11(4-6-12)13(17)15-7-9-16-8-1-2-10-20(16,18)19/h3-6H,1-2,7-10H2,(H,15,17)
InChIKeyNOOVCTJAQRUKIP-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
CID 60616296
N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
CID 49090622
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide (CID 110720894) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide is O=C(NCCN1CCCCS1(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide?
The InChIKey is NOOVCTJAQRUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-12-5-3-11(4-6-12)13(17)15-7-9-16-8-1-2-10-20(16,18)19/h3-6H,1-2,7-10H2,(H,15,17).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide has a molecular weight of 300.35 g/mol, XLogP of 0.98, 4 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]-4-fluorobenzamide is sourced from PubChem (CID 110720894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).