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

C12H21N3O2S3 — CID 66383428

IUPACN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCSCC2S(C)(=O)=O)s1
InChIInChI=1S/C12H21N3O2S3/c1-9(2)13-6-10-7-14-12(19-10)15-4-5-18-8-11(15)20(3,16)17/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyHMFYIHFYTFEJQW-UHFFFAOYSA-N
MW335.52 g/mol
LogP1.57
Rot. Bonds5

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

N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 66383428) has the molecular formula C12H21N3O2S3 and a molecular weight of 335.52 g/mol. Its IUPAC name is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID66383428
Molecular FormulaC12H21N3O2S3
Molecular Weight335.52 g/mol
Exact Mass335.08
IUPAC NameN-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCSCC2S(C)(=O)=O)s1
InChIInChI=1S/C12H21N3O2S3/c1-9(2)13-6-10-7-14-12(19-10)15-4-5-18-8-11(15)20(3,16)17/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyHMFYIHFYTFEJQW-UHFFFAOYSA-N
XLogP1.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159817
2,6-Dimethyl-4-(5-methyl-1,3-thiazol-2-yl)-1,4-thiazinane 1-oxide
CID 128101767
2-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]guanidine
CID 109637415
N-(2-thiomorpholin-4-ylsulfonylethyl)-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508848
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133508909
N-(1-ethylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522381
N-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanesulfonamide
CID 133522526
N-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]propane-1-sulfonamide
CID 133522527
N-(1-propylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522598
2-[(5-Methyl-1,3-thiazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
CID 68822891
2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68822894
5-(2-Ethylsulfonylethyl)-2-piperazin-1-yl-1,3-thiazole
CID 118088288

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 66383428) is N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCSCC2S(C)(=O)=O)s1.
What is the InChIKey of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is HMFYIHFYTFEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S3/c1-9(2)13-6-10-7-14-12(19-10)15-4-5-18-8-11(15)20(3,16)17/h7,9,11,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 335.52 g/mol, XLogP of 1.57, 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-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66383428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).