N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C12H19N3O2S3 — CID 66384396

IUPACN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1c1nc(CNC2CC2)cs1
InChIInChI=1S/C12H19N3O2S3/c1-20(16,17)11-8-18-5-4-15(11)12-14-10(7-19-12)6-13-9-2-3-9/h7,9,11,13H,2-6,8H2,1H3
InChIKeyQJGGBLGWXNPFJF-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.32
Rot. Bonds5

About N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 66384396) has the molecular formula C12H19N3O2S3 and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID66384396
Molecular FormulaC12H19N3O2S3
Molecular Weight333.50 g/mol
Exact Mass333.06
IUPAC NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)C1CSCCN1c1nc(CNC2CC2)cs1
InChIInChI=1S/C12H19N3O2S3/c1-20(16,17)11-8-18-5-4-15(11)12-14-10(7-19-12)6-13-9-2-3-9/h7,9,11,13H,2-6,8H2,1H3
InChIKeyQJGGBLGWXNPFJF-UHFFFAOYSA-N
XLogP1.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methanamine
CID 66375813
N-[[5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 66384572
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134
2-[2-(3-ethylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576521
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 66382058
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66450933
N-[[2-(1,4-dithian-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79965491
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 66383798
methyl 3-[2-(3-methylthiomorpholin-4-yl)-1,3-thiazol-4-yl]propanoate
CID 107040403
N-[[4-ethyl-2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66383239
1-[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66384579

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 66384396) is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CS(=O)(=O)C1CSCCN1c1nc(CNC2CC2)cs1.
What is the InChIKey of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is QJGGBLGWXNPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S3/c1-20(16,17)11-8-18-5-4-15(11)12-14-10(7-19-12)6-13-9-2-3-9/h7,9,11,13H,2-6,8H2,1H3.
What are the key properties of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 333.50 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66384396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).