5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

C10H17N3O2S3 — CID 103382034

IUPAC5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(C)(=O)=O)CC(C)S1
InChIInChI=1S/C10H17N3O2S3/c1-6-4-13(5-7(2)16-6)10-8(18(3,14)15)9(11)12-17-10/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyCGXXMLADCCBNCN-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.46
Rot. Bonds2

About 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103382034) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
PubChem CID103382034
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC1CN(c2snc(N)c2S(C)(=O)=O)CC(C)S1
InChIInChI=1S/C10H17N3O2S3/c1-6-4-13(5-7(2)16-6)10-8(18(3,14)15)9(11)12-17-10/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyCGXXMLADCCBNCN-UHFFFAOYSA-N
XLogP1.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103380917
N-[1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 103384147
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (CID 103382034) is 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is CC1CN(c2snc(N)c2S(C)(=O)=O)CC(C)S1.
What is the InChIKey of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is CGXXMLADCCBNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-6-4-13(5-7(2)16-6)10-8(18(3,14)15)9(11)12-17-10/h6-7H,4-5H2,1-3H3,(H2,11,12).
What are the key properties of 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 307.47 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103382034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).