N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide

C14H24N2O3S2 — CID 120877176

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
SMILESCOCC1(CNS(=O)(=O)CCc2cccs2)CCNCC1
InChIInChI=1S/C14H24N2O3S2/c1-19-12-14(5-7-15-8-6-14)11-16-21(17,18)10-4-13-3-2-9-20-13/h2-3,9,15-16H,4-8,10-12H2,1H3
InChIKeyYOWNLRHGOGFNMI-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.23
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide (PubChem CID 120877176) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
PubChem CID120877176
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
SMILESCOCC1(CNS(=O)(=O)CCc2cccs2)CCNCC1
InChIInChI=1S/C14H24N2O3S2/c1-19-12-14(5-7-15-8-6-14)11-16-21(17,18)10-4-13-3-2-9-20-13/h2-3,9,15-16H,4-8,10-12H2,1H3
InChIKeyYOWNLRHGOGFNMI-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896587
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide;hydrochloride
CID 120896586
2-(ethylsulfonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896619
2-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 120896019
1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
CID 120896382
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
CID 120874591
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
CID 120896062
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide (CID 120877176) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide is COCC1(CNS(=O)(=O)CCc2cccs2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide?
The InChIKey is YOWNLRHGOGFNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-19-12-14(5-7-15-8-6-14)11-16-21(17,18)10-4-13-3-2-9-20-13/h2-3,9,15-16H,4-8,10-12H2,1H3.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide is sourced from PubChem (CID 120877176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).