3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C12H22N4O3S2 — CID 103360651

IUPAC3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCOC1CCN(c2snc(N)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H22N4O3S2/c1-4-19-9-5-7-16(8-6-9)12-10(11(13)14-20-12)21(17,18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGHLUGADDMCUQGZ-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.98
Rot. Bonds5

About 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103360651) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103360651
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCOC1CCN(c2snc(N)c2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C12H22N4O3S2/c1-4-19-9-5-7-16(8-6-9)12-10(11(13)14-20-12)21(17,18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGHLUGADDMCUQGZ-UHFFFAOYSA-N
XLogP0.98
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
3-amino-5-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103365498
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103366052
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103360651) is 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCOC1CCN(c2snc(N)c2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is GHLUGADDMCUQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-4-19-9-5-7-16(8-6-9)12-10(11(13)14-20-12)21(17,18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 334.47 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103360651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).