[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C11H19N3O2S2 — CID 79395059

IUPAC[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(N2CCS(=O)(=O)CC2)sc1CN
InChIInChI=1S/C11H19N3O2S2/c1-8(2)10-9(7-12)17-11(13-10)14-3-5-18(15,16)6-4-14/h8H,3-7,12H2,1-2H3
InChIKeyDXWKABQYQORHQO-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.96
Rot. Bonds3

About [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79395059) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79395059
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(N2CCS(=O)(=O)CC2)sc1CN
InChIInChI=1S/C11H19N3O2S2/c1-8(2)10-9(7-12)17-11(13-10)14-3-5-18(15,16)6-4-14/h8H,3-7,12H2,1-2H3
InChIKeyDXWKABQYQORHQO-UHFFFAOYSA-N
XLogP0.96
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 79395608
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79382475
[4-propan-2-yl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 79380938
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381520
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79392675
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435654
[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79383590

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79395059) is [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(N2CCS(=O)(=O)CC2)sc1CN.
What is the InChIKey of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is DXWKABQYQORHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-8(2)10-9(7-12)17-11(13-10)14-3-5-18(15,16)6-4-14/h8H,3-7,12H2,1-2H3.
What are the key properties of [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 289.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79395059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).