5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H13F3N2O2S2 — CID 55009694

IUPAC5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H13F3N2O2S2/c1-2-14(6-9(10,11)12)18(15,16)8-4-3-7(5-13)17-8/h3-4H,2,5-6,13H2,1H3
InChIKeyHTDTYTQTLVKYAK-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.78
Rot. Bonds5

About 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 55009694) has the molecular formula C9H13F3N2O2S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID55009694
Molecular FormulaC9H13F3N2O2S2
Molecular Weight302.34 g/mol
Exact Mass302.04
IUPAC Name5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C9H13F3N2O2S2/c1-2-14(6-9(10,11)12)18(15,16)8-4-3-7(5-13)17-8/h3-4H,2,5-6,13H2,1H3
InChIKeyHTDTYTQTLVKYAK-UHFFFAOYSA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
[5-[(4-Methylsulfonyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 155517450
US10807974, Example 12
CID 130358029
US10807974, Example 13
CID 130358040
[5-[(4-Methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]methanamine
CID 43155654
5-(2-Aminoethyl)thiophene-2-sulfonamide
CID 4961948
US10807974, Example 8
CID 130345054
5-(2-aminoethyl)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
[5-(Ethanesulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 91647541
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 55009694) is 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is HTDTYTQTLVKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2S2/c1-2-14(6-9(10,11)12)18(15,16)8-4-3-7(5-13)17-8/h3-4H,2,5-6,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 302.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55009694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).