N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H20N2O4S — CID 102885946

IUPACN-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21(19,20)7-6-16(10)14(18)15-13-5-3-4-12(8-13)11(2)17/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyHPXXGZDUHUUZQL-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.39
Rot. Bonds2

About N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 102885946) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID102885946
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)N2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-21(19,20)7-6-16(10)14(18)15-13-5-3-4-12(8-13)11(2)17/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,15,18)
InChIKeyHPXXGZDUHUUZQL-UHFFFAOYSA-N
XLogP1.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102884982
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 61348221
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
CID 61347794
N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
CID 61342049
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 166211961
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
CID 61339628
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 102885009
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
N-[3-(1-hydroxyethyl)phenyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 62997925
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
CID 61428602

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 102885946) is N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC(O)c1cccc(NC(=O)N2CCS(=O)(=O)CC2C)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is HPXXGZDUHUUZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-21(19,20)7-6-16(10)14(18)15-13-5-3-4-12(8-13)11(2)17/h3-5,8,10-11,17H,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 102885946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).