3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

C12H22N4O3S2 — CID 106383946

IUPAC3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C12H22N4O3S2/c1-2-13-6-10-4-3-5-16(8-10)21(18,19)14-7-11-9-20-12(17)15-11/h9-10,13-14H,2-8H2,1H3,(H,15,17)
InChIKeyUJYXNXQOYCJUMI-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.09
Rot. Bonds7

About 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106383946) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106383946
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C12H22N4O3S2/c1-2-13-6-10-4-3-5-16(8-10)21(18,19)14-7-11-9-20-12(17)15-11/h9-10,13-14H,2-8H2,1H3,(H,15,17)
InChIKeyUJYXNXQOYCJUMI-UHFFFAOYSA-N
XLogP0.09
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106016707
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
4-[[(3-aminocyclohexyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381856
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)piperidine-1-sulfonamide
CID 106071762
N-[[1-(2-ethoxyethylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 55258778
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106383946) is 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NCc2csc(=O)[nH]2)C1.
What is the InChIKey of 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is UJYXNXQOYCJUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-2-13-6-10-4-3-5-16(8-10)21(18,19)14-7-11-9-20-12(17)15-11/h9-10,13-14H,2-8H2,1H3,(H,15,17).
What are the key properties of 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 334.47 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106383946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).