4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide

C13H23N3O2S2 — CID 79487831

IUPAC4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H23N3O2S2/c1-15(7-6-13-3-2-10-19-13)20(17,18)16-8-4-12(11-14)5-9-16/h2-3,10,12H,4-9,11,14H2,1H3
InChIKeyZNSOBGPRJGWYOW-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.14
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide (PubChem CID 79487831) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide
PubChem CID79487831
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C13H23N3O2S2/c1-15(7-6-13-3-2-10-19-13)20(17,18)16-8-4-12(11-14)5-9-16/h2-3,10,12H,4-9,11,14H2,1H3
InChIKeyZNSOBGPRJGWYOW-UHFFFAOYSA-N
XLogP1.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
4-(aminomethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119963738
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110736265
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
(3aR,7aS)-N,N-dimethyl-2-(thiophen-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-sulfonamide
CID 97377229
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
CID 61253694

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide (CID 79487831) is 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide is CN(CCc1cccs1)S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide?
The InChIKey is ZNSOBGPRJGWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-15(7-6-13-3-2-10-19-13)20(17,18)16-8-4-12(11-14)5-9-16/h2-3,10,12H,4-9,11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 79487831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).