N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H23N3O2S3 — CID 66377163

IUPACN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCSCC2S(=O)(=O)CC)s1
InChIInChI=1S/C13H23N3O2S3/c1-3-5-14-8-11-9-15-13(20-11)16-6-7-19-10-12(16)21(17,18)4-2/h9,12,14H,3-8,10H2,1-2H3
InChIKeyKJMZZDUQBVOKQL-UHFFFAOYSA-N
MW349.55 g/mol
LogP1.96
Rot. Bonds7

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

N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 66377163) has the molecular formula C13H23N3O2S3 and a molecular weight of 349.55 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID66377163
Molecular FormulaC13H23N3O2S3
Molecular Weight349.55 g/mol
Exact Mass349.10
IUPAC NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCSCC2S(=O)(=O)CC)s1
InChIInChI=1S/C13H23N3O2S3/c1-3-5-14-8-11-9-15-13(20-11)16-6-7-19-10-12(16)21(17,18)4-2/h9,12,14H,3-8,10H2,1-2H3
InChIKeyKJMZZDUQBVOKQL-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methanamine
CID 66375813
4-(5-bromo-2-pyridinyl)-3-ethylsulfonylthiomorpholine
CID 66375651
3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 66377729
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79170468
6-(3-ethylsulfonylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 66377758
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
3-ethylsulfonyl-4-(5-iodopyrimidin-4-yl)thiomorpholine
CID 66376036

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 66377163) is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCSCC2S(=O)(=O)CC)s1.
What is the InChIKey of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is KJMZZDUQBVOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S3/c1-3-5-14-8-11-9-15-13(20-11)16-6-7-19-10-12(16)21(17,18)4-2/h9,12,14H,3-8,10H2,1-2H3.
What are the key properties of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 349.55 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 66377163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).