N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H18N2O4S — CID 61341797

IUPACN-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(O)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-2-4-12(5-3-11)14-13(17)15-6-8-20(18,19)9-7-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyDWCWLAXUPGMDLB-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.00
Rot. Bonds2

About N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 61341797) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID61341797
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(O)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-10(16)11-2-4-12(5-3-11)14-13(17)15-6-8-20(18,19)9-7-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyDWCWLAXUPGMDLB-UHFFFAOYSA-N
XLogP1.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-4-methylazepane-1-carboxamide
CID 63627417
N-[4-(1-hydroxyethyl)phenyl]-7,7-dimethyl-1,4-thiazepane-4-carboxamide
CID 107458389
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
N-[4-(1-hydroxyethyl)phenyl]-2,2-dimethylmorpholine-4-carboxamide
CID 61339795
N-[4-(1-hydroxyethyl)phenyl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599250
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61339985
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 131960443
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 61341797) is N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC(O)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is DWCWLAXUPGMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(16)11-2-4-12(5-3-11)14-13(17)15-6-8-20(18,19)9-7-15/h2-5,10,16H,6-9H2,1H3,(H,14,17).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 61341797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).