[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C15H20N2O3S — CID 102883352

IUPAC[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(19,20)9-8-17(11)14(18)15(6-7-15)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3
InChIKeyAKPRDTGTJOEIPI-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.95
Rot. Bonds2

About [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102883352) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102883352
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H20N2O3S/c1-11-10-21(19,20)9-8-17(11)14(18)15(6-7-15)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3
InChIKeyAKPRDTGTJOEIPI-UHFFFAOYSA-N
XLogP0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
2-(4-aminophenoxy)-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 102882184
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272
(5-amino-1-benzothiophen-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882239
1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclobutane-1-carbothioamide
CID 102883447
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
(4-amino-1H-pyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882270
(5-amino-1H-pyrazol-4-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885522
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
4-[1-(4-aminophenyl)cyclopropanecarbonyl]thiomorpholine-3-carboxylic acid
CID 115913897
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102883352) is [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is AKPRDTGTJOEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-10-21(19,20)9-8-17(11)14(18)15(6-7-15)12-2-4-13(16)5-3-12/h2-5,11H,6-10,16H2,1H3.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102883352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).