5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

C12H20N2O3S2 — CID 106092930

IUPAC5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)7-13)19(15,16)14-4-2-10-3-5-17-8-10/h6,10,14H,2-5,7-8,13H2,1H3
InChIKeyOOHSFBCLEWRUJH-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.22
Rot. Bonds6

About 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106092930) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106092930
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)7-13)19(15,16)14-4-2-10-3-5-17-8-10/h6,10,14H,2-5,7-8,13H2,1H3
InChIKeyOOHSFBCLEWRUJH-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092832
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
5-(aminomethyl)-N-hexyl-4-methylthiophene-2-sulfonamide
CID 114135259
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
5-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 114132396
5-(aminomethyl)-4-methyl-N-(thian-2-ylmethyl)thiophene-2-sulfonamide
CID 106072242
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (CID 106092930) is 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCC2CCOC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is OOHSFBCLEWRUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-6-12(18-11(9)7-13)19(15,16)14-4-2-10-3-5-17-8-10/h6,10,14H,2-5,7-8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106092930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).