N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide

C16H20N2O3S2 — CID 94136143

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-5-2-10-22-16)17-12-14-3-1-4-15(11-14)13-18-6-8-21-9-7-18/h1-5,10-11,17H,6-9,12-13H2
InChIKeyTWCOBANAISFRMZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.06
Rot. Bonds6

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 94136143) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID94136143
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccs1
InChIInChI=1S/C16H20N2O3S2/c19-23(20,16-5-2-10-22-16)17-12-14-3-1-4-15(11-14)13-18-6-8-21-9-7-18/h1-5,10-11,17H,6-9,12-13H2
InChIKeyTWCOBANAISFRMZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
6-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-sulfonamide
CID 55872974
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 91966940
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255050
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 94136143) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cccc(CN2CCOCC2)c1)c1cccs1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is TWCOBANAISFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c19-23(20,16-5-2-10-22-16)17-12-14-3-1-4-15(11-14)13-18-6-8-21-9-7-18/h1-5,10-11,17H,6-9,12-13H2.
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 352.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 94136143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).