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

C10H15F3N2O2S2 — CID 55009505

IUPAC5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C10H15F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5-7,14H2,1H3
InChIKeySXRZNEYDQBNVDL-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.17
Rot. Bonds6

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

5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 55009505) has the molecular formula C10H15F3N2O2S2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID55009505
Molecular FormulaC10H15F3N2O2S2
Molecular Weight316.37 g/mol
Exact Mass316.05
IUPAC Name5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C10H15F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5-7,14H2,1H3
InChIKeySXRZNEYDQBNVDL-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.17
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)-N,N-diethylthiophene-2-sulfonamide
CID 43420051
5-(Aminomethyl)thiophene-2-sulfonamide hydrochloride
CID 16313695
(5-Methanesulfonylthiophen-2-yl)methanamine hydrochloride
CID 71756062
5-(aminomethyl)-N,N-dimethylthiophene-2-sulfonamide
CID 16227241
[5-(Piperidine-1-sulfonyl)thiophen-2-yl]methanamine
CID 16227277
5-(aminomethyl)-N-ethylthiophene-2-sulfonamide
CID 43155678
5-(aminomethyl)-N-methylthiophene-2-sulfonamide hydrochloride
CID 16340559

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 55009505) is 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is SXRZNEYDQBNVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2S2/c1-2-5-15(7-10(11,12)13)19(16,17)9-4-3-8(6-14)18-9/h3-4H,2,5-7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 316.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55009505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).