3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine

C11H19N3O2S2 — CID 103413712

IUPAC3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2cnc(C)s2)CCC1N
InChIInChI=1S/C11H19N3O2S2/c1-3-9-7-14(5-4-10(9)12)18(15,16)11-6-13-8(2)17-11/h6,9-10H,3-5,7,12H2,1-2H3
InChIKeyHWANKYMVWBEFJE-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.20
Rot. Bonds3

About 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine

3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine (PubChem CID 103413712) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
PubChem CID103413712
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine
SMILESCCC1CN(S(=O)(=O)c2cnc(C)s2)CCC1N
InChIInChI=1S/C11H19N3O2S2/c1-3-9-7-14(5-4-10(9)12)18(15,16)11-6-13-8(2)17-11/h6,9-10H,3-5,7,12H2,1-2H3
InChIKeyHWANKYMVWBEFJE-UHFFFAOYSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 146666615
2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
CID 69106639
5-[2,4-Dimethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]sulfonyl-1,3-thiazole
CID 69573627
5-(2,6-Dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 91804318
2-(1-Methylpiperidin-3-yl)-1,3-thiazole-5-sulfonyl chloride
CID 177318955
2-Chloro-5-(3-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43427515
2-chloro-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455756
2-Chloro-5-(4-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455764
2-Chloro-5-(2-methylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455772
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
CID 43455796
2-chloro-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455797
2-chloro-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455804

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine (CID 103413712) is 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine is CCC1CN(S(=O)(=O)c2cnc(C)s2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine?
The InChIKey is HWANKYMVWBEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-3-9-7-14(5-4-10(9)12)18(15,16)11-6-13-8(2)17-11/h6,9-10H,3-5,7,12H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine?
3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-amine is sourced from PubChem (CID 103413712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).