2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

C12H20N2O3S2 — CID 106076254

IUPAC2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C12H20N2O3S2/c1-3-13-8-11-12(5-7-18-11)19(15,16)14-10-4-6-17-9(10)2/h5,7,9-10,13-14H,3-4,6,8H2,1-2H3
InChIKeyCWZZSFJUQAYJES-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.31
Rot. Bonds6

About 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (PubChem CID 106076254) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
PubChem CID106076254
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C12H20N2O3S2/c1-3-13-8-11-12(5-7-18-11)19(15,16)14-10-4-6-17-9(10)2/h5,7,9-10,13-14H,3-4,6,8H2,1-2H3
InChIKeyCWZZSFJUQAYJES-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
2-[(2-methyloxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 82728362
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106064066
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide (CID 106076254) is 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
The InChIKey is CWZZSFJUQAYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-13-8-11-12(5-7-18-11)19(15,16)14-10-4-6-17-9(10)2/h5,7,9-10,13-14H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106076254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).