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

C13H23N3O2S2 — CID 103413650

IUPACN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1
InChIInChI=1S/C13H23N3O2S2/c1-4-14-10(2)12-6-5-7-16(9-12)20(17,18)13-8-15-11(3)19-13/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyRDYABSKDGFSPRL-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.85
Rot. Bonds5

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

N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine (PubChem CID 103413650) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine
PubChem CID103413650
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1
InChIInChI=1S/C13H23N3O2S2/c1-4-14-10(2)12-6-5-7-16(9-12)20(17,18)13-8-15-11(3)19-13/h8,10,12,14H,4-7,9H2,1-3H3
InChIKeyRDYABSKDGFSPRL-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.85
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
3-(Methylsulfonylmethyl)piperidine;1,3-thiazole
CID 68516941
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
1-butylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 170623111
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-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455804
2-Chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1,3-thiazole
CID 43455811
2-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-sulfonamide
CID 43455876
2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43455969

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine (CID 103413650) is N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(S(=O)(=O)c2cnc(C)s2)C1.
What is the InChIKey of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine?
The InChIKey is RDYABSKDGFSPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-4-14-10(2)12-6-5-7-16(9-12)20(17,18)13-8-15-11(3)19-13/h8,10,12,14H,4-7,9H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine?
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine has a molecular weight of 317.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 103413650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).