(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C13H19N3O3S — CID 102882182

IUPAC(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H19N3O3S/c1-9-8-20(18,19)5-4-15(9)13(17)12-6-10(14)7-16(12)11-2-3-11/h6-7,9,11H,2-5,8,14H2,1H3
InChIKeyCDVCTTCCJZXNRR-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.66
Rot. Bonds2

About (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102882182) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102882182
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1CS(=O)(=O)CCN1C(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C13H19N3O3S/c1-9-8-20(18,19)5-4-15(9)13(17)12-6-10(14)7-16(12)11-2-3-11/h6-7,9,11H,2-5,8,14H2,1H3
InChIKeyCDVCTTCCJZXNRR-UHFFFAOYSA-N
XLogP0.66
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

(4-amino-1-propan-2-ylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882198
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859
(4-amino-1H-pyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882270
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(5-amino-2-bromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882272
(5-amino-2-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882268
(4-amino-1-cyclopropylpyrrol-2-yl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62090534
(4-amino-3-fluorophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882172
(5-amino-1-benzothiophen-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882239
(4-amino-1-cyclopropylpyrrol-2-yl)-(oxazinan-2-yl)methanone
CID 113375296
[3-amino-4-(dimethylamino)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882248
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113416742

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102882182) is (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1CS(=O)(=O)CCN1C(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is CDVCTTCCJZXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-8-20(18,19)5-4-15(9)13(17)12-6-10(14)7-16(12)11-2-3-11/h6-7,9,11H,2-5,8,14H2,1H3.
What are the key properties of (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 297.38 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopropylpyrrol-2-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102882182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).