2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate

C14H19N3O6S — CID 6735862

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccco1)NNC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19N3O6S/c18-13(4-3-12-2-1-8-22-12)15-16-14(19)23-9-5-17-6-10-24(20,21)11-7-17/h1-4,8H,5-7,9-11H2,(H,15,18)(H,16,19)
InChIKeyYPCKXFIKUOPYBF-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.22
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate

2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate (PubChem CID 6735862) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
PubChem CID6735862
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccco1)NNC(=O)OCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19N3O6S/c18-13(4-3-12-2-1-8-22-12)15-16-14(19)23-9-5-17-6-10-24(20,21)11-7-17/h1-4,8H,5-7,9-11H2,(H,15,18)(H,16,19)
InChIKeyYPCKXFIKUOPYBF-UHFFFAOYSA-N
XLogP-0.22
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109051
2-[4-(dimethylamino)phenyl]ethyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109657
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
2-naphthalen-2-yloxyethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 6734368
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
(1-benzylpyrrolidin-2-yl)methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 45109367
methyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamate
CID 6134787
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate (CID 6735862) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate is O=C(C=Cc1ccco1)NNC(=O)OCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
The InChIKey is YPCKXFIKUOPYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c18-13(4-3-12-2-1-8-22-12)15-16-14(19)23-9-5-17-6-10-24(20,21)11-7-17/h1-4,8H,5-7,9-11H2,(H,15,18)(H,16,19).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate?
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate has a molecular weight of 357.39 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate is sourced from PubChem (CID 6735862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).