N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

C14H17N3O4S2 — CID 72892064

IUPACN-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCSc1nc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc2o1
InChIInChI=1S/C14H17N3O4S2/c1-2-22-14-16-11-4-3-10(9-12(11)21-14)15-13(18)17-5-7-23(19,20)8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,18)
InChIKeyYTWGEKNAQNYYCH-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.20
Rot. Bonds3

About N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 72892064) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID72892064
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCCSc1nc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc2o1
InChIInChI=1S/C14H17N3O4S2/c1-2-22-14-16-11-4-3-10(9-12(11)21-14)15-13(18)17-5-7-23(19,20)8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,18)
InChIKeyYTWGEKNAQNYYCH-UHFFFAOYSA-N
XLogP2.20
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 72886864
N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 118768417
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)urea
CID 72901885
N-(1-ethylindol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 71992076
3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 118788203
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
dimethyl 3-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632382
2-ethylsulfanyl-6-nitro-1,3-benzoxazole
CID 122707413
N-(3-chloro-4-methylphenyl)-2-[(6-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 38112974
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-3-ethoxypiperidine-1-carboxamide
CID 71846843

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 72892064) is N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is CCSc1nc2ccc(NC(=O)N3CCS(=O)(=O)CC3)cc2o1.
What is the InChIKey of N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is YTWGEKNAQNYYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-2-22-14-16-11-4-3-10(9-12(11)21-14)15-13(18)17-5-7-23(19,20)8-6-17/h3-4,9H,2,5-8H2,1H3,(H,15,18).
What are the key properties of N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanyl-1,3-benzoxazol-6-yl)-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 72892064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).