N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide

C17H22N2O3S2 — CID 55479093

IUPACN-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c20-24(21,17-7-4-14-23-17)18-15-8-10-19(11-9-15)12-13-22-16-5-2-1-3-6-16/h1-7,14-15,18H,8-13H2
InChIKeyKHFRVSBPNUGGOX-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.57
Rot. Bonds7

About N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 55479093) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID55479093
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c20-24(21,17-7-4-14-23-17)18-15-8-10-19(11-9-15)12-13-22-16-5-2-1-3-6-16/h1-7,14-15,18H,8-13H2
InChIKeyKHFRVSBPNUGGOX-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Phenoxyacetyl)-4-(2-thienylsulfonyl)piperazine
CID 1245926
1-(2-Phenoxyethyl)-4-thiophen-2-ylsulfonylpiperazine
CID 8745174
1-(5-Bromothiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperazine
CID 16312923
4-((4-Methoxyphenyl)sulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830265
N-[2-(2-fluorophenoxy)ethyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24979484
4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
CID 37219401
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71449642
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71451454
N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71456781
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71458623
5-chloro-N-[1-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458625
N-[1-[2-(3-fluorophenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 71458649

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 55479093) is N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is KHFRVSBPNUGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c20-24(21,17-7-4-14-23-17)18-15-8-10-19(11-9-15)12-13-22-16-5-2-1-3-6-16/h1-7,14-15,18H,8-13H2.
What are the key properties of N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 55479093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).