4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine

C12H19N3O3S2 — CID 103349903

IUPAC4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
SMILESC[C@@H]1CN(c2snc(N)c2S(=O)(=O)C2CC2)C[C@H](C)O1
InChIInChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)18-7)12-10(11(13)14-19-12)20(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14)/t7-,8+
InChIKeyCNSGRYSIFMZFIW-OCAPTIKFSA-N
MW317.44 g/mol
LogP1.27
Rot. Bonds3

About 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine

4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine (PubChem CID 103349903) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
PubChem CID103349903
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
SMILESC[C@@H]1CN(c2snc(N)c2S(=O)(=O)C2CC2)C[C@H](C)O1
InChIInChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)18-7)12-10(11(13)14-19-12)20(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14)/t7-,8+
InChIKeyCNSGRYSIFMZFIW-OCAPTIKFSA-N
XLogP1.27
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine with MolForge

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Related Compounds

4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
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4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103349281
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103349210
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
3-amino-5-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103365498
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine (CID 103349903) is 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine is C[C@@H]1CN(c2snc(N)c2S(=O)(=O)C2CC2)C[C@H](C)O1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine?
The InChIKey is CNSGRYSIFMZFIW-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-7-5-15(6-8(2)18-7)12-10(11(13)14-19-12)20(16,17)9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14)/t7-,8+.
What are the key properties of 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine?
4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine has a molecular weight of 317.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103349903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).