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

C13H23N3O2S3 — CID 79383590

IUPAC[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(C(C)C)c(CN)s1
InChIInChI=1S/C13H23N3O2S3/c1-4-21(17,18)11-8-19-6-5-16(11)13-15-12(9(2)3)10(7-14)20-13/h9,11H,4-8,14H2,1-3H3
InChIKeyFVIIQTSXUWRSEM-UHFFFAOYSA-N
MW349.55 g/mol
LogP2.04
Rot. Bonds5

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

[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79383590) has the molecular formula C13H23N3O2S3 and a molecular weight of 349.55 g/mol. Its IUPAC name is [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79383590
Molecular FormulaC13H23N3O2S3
Molecular Weight349.55 g/mol
Exact Mass349.10
IUPAC Name[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCCS(=O)(=O)C1CSCCN1c1nc(C(C)C)c(CN)s1
InChIInChI=1S/C13H23N3O2S3/c1-4-21(17,18)11-8-19-6-5-16(11)13-15-12(9(2)3)10(7-14)20-13/h9,11H,4-8,14H2,1-3H3
InChIKeyFVIIQTSXUWRSEM-UHFFFAOYSA-N
XLogP2.04
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79383590) is [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CCS(=O)(=O)C1CSCCN1c1nc(C(C)C)c(CN)s1.
What is the InChIKey of [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FVIIQTSXUWRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S3/c1-4-21(17,18)11-8-19-6-5-16(11)13-15-12(9(2)3)10(7-14)20-13/h9,11H,4-8,14H2,1-3H3.
What are the key properties of [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 349.55 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylsulfonylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79383590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).