N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H25N3O2S2 — CID 106094651

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)N2CCCCC2CNC)s1
InChIInChI=1S/C14H25N3O2S2/c1-3-13-7-8-14(20-13)11-16-21(18,19)17-9-5-4-6-12(17)10-15-2/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeyAQDZQIIFQUVVAT-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.72
Rot. Bonds7

About N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide

N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106094651) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106094651
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)N2CCCCC2CNC)s1
InChIInChI=1S/C14H25N3O2S2/c1-3-13-7-8-14(20-13)11-16-21(18,19)17-9-5-4-6-12(17)10-15-2/h7-8,12,15-16H,3-6,9-11H2,1-2H3
InChIKeyAQDZQIIFQUVVAT-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106019082
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
2-(ethylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-sulfonamide
CID 81174553
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106094651) is N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is CCc1ccc(CNS(=O)(=O)N2CCCCC2CNC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is AQDZQIIFQUVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-3-13-7-8-14(20-13)11-16-21(18,19)17-9-5-4-6-12(17)10-15-2/h7-8,12,15-16H,3-6,9-11H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106094651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).