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

C12H21N3O2S2 — CID 103415164

IUPACN-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-10-14-9-12(18-10)19(16,17)15-8-4-3-5-11(15)6-7-13-2/h9,11,13H,3-8H2,1-2H3
InChIKeySFTNMMQBCIAJAC-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.60
Rot. Bonds5

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

N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine (PubChem CID 103415164) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
PubChem CID103415164
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1S(=O)(=O)c1cnc(C)s1
InChIInChI=1S/C12H21N3O2S2/c1-10-14-9-12(18-10)19(16,17)15-8-4-3-5-11(15)6-7-13-2/h9,11,13H,3-8H2,1-2H3
InChIKeySFTNMMQBCIAJAC-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]propanoic acid
CID 104937156
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
CID 103416218
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 103847980
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]cyclopentan-1-one
CID 103414737
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 103414732
5-(2-isocyanatopyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103414770
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370
N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine (CID 103415164) is N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine is CNCCC1CCCCN1S(=O)(=O)c1cnc(C)s1.
What is the InChIKey of N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine?
The InChIKey is SFTNMMQBCIAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-10-14-9-12(18-10)19(16,17)15-8-4-3-5-11(15)6-7-13-2/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine?
N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine has a molecular weight of 303.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 103415164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).