1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

C14H25N3O2S2 — CID 86789760

IUPAC1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3
InChIKeyVTQMLORTAOBQJW-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.03
Rot. Bonds6

About 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine

1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (PubChem CID 86789760) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
PubChem CID86789760
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
SMILESCCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1
InChIInChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3
InChIKeyVTQMLORTAOBQJW-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 47397823
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 53512876
1-methylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 53512877
N-[[2-(1-butylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 53149456
3-(4-Ethyl-1,3-thiazol-2-yl)piperidine
CID 24261805
3-(4-(Propan-2-yl)-1,3-thiazol-2-yl)piperidine
CID 24261806
N-[[2-(1-propan-2-ylsulfonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 53149478
N-({2-[1-(Ethanesulfonyl)piperidin-3-YL]-1,3-thiazol-4-YL}methyl)cyclopropanecarboxamide
CID 71842009
2-Methyl-N-({2-[1-(propane-2-sulfonyl)piperidin-3-YL]-1,3-thiazol-4-YL}methyl)propanamide
CID 71842010
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 95201536
N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95218893
N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 97979510

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine (CID 86789760) is 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is CCc1nc(C(C)NCC2CCCN(S(C)(=O)=O)C2)cs1.
What is the InChIKey of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is VTQMLORTAOBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-14-16-13(10-20-14)11(2)15-8-12-6-5-7-17(9-12)21(3,18)19/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine?
1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 331.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-thiazol-4-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 86789760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).