4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine

C11H19N3O2S2 — CID 103362141

IUPAC4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCCC(C)C1
InChIInChI=1S/C11H19N3O2S2/c1-3-18(15,16)9-10(12)13-17-11(9)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyRDAXMNYNWCKHMY-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.76
Rot. Bonds3

About 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine

4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103362141) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103362141
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCCC(C)C1
InChIInChI=1S/C11H19N3O2S2/c1-3-18(15,16)9-10(12)13-17-11(9)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3,(H2,12,13)
InChIKeyRDAXMNYNWCKHMY-UHFFFAOYSA-N
XLogP1.76
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
5-(3,4-dimethylpyrrolidin-1-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103359090
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103349281
3-amino-4-ethylsulfonyl-5-(4-methylazepan-1-yl)thiophene-2-carbonitrile
CID 103422050
4-ethylsulfonyl-5-N-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103360829

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine (CID 103362141) is 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine is CCS(=O)(=O)c1c(N)nsc1N1CCCC(C)C1.
What is the InChIKey of 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is RDAXMNYNWCKHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-3-18(15,16)9-10(12)13-17-11(9)14-6-4-5-8(2)7-14/h8H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine?
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 289.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103362141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).