N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide

C12H20N2O2S2 — CID 120876347

IUPACN-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide
SMILESCC1CCNCC1NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-10-4-6-13-9-12(10)14-18(15,16)8-5-11-3-2-7-17-11/h2-3,7,10,12-14H,4-6,8-9H2,1H3
InChIKeyLILLJUFVGRCLPS-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.21
Rot. Bonds5

About N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide

N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide (PubChem CID 120876347) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide
PubChem CID120876347
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide
SMILESCC1CCNCC1NS(=O)(=O)CCc1cccs1
InChIInChI=1S/C12H20N2O2S2/c1-10-4-6-13-9-12(10)14-18(15,16)8-5-11-3-2-7-17-11/h2-3,7,10,12-14H,4-6,8-9H2,1H3
InChIKeyLILLJUFVGRCLPS-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
N-(2-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120876612
N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120723171
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
CID 120877176
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
4-methyl-3-(sulfamoylamino)piperidine
CID 114959095
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
CID 120874591
1-pyrrolidin-3-yl-3-thiophen-2-ylpropan-1-one
CID 116568317
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide?
The IUPAC name of N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide (CID 120876347) is N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide?
The canonical SMILES for N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide is CC1CCNCC1NS(=O)(=O)CCc1cccs1.
What is the InChIKey of N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide?
The InChIKey is LILLJUFVGRCLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10-4-6-13-9-12(10)14-18(15,16)8-5-11-3-2-7-17-11/h2-3,7,10,12-14H,4-6,8-9H2,1H3.
What are the key properties of N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide?
N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-3-yl)-2-thiophen-2-ylethanesulfonamide is sourced from PubChem (CID 120876347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).